3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride

C69H74Cl9N10O2PS3 — CID 167592044

IUPAC3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride
SMILESCC(C)Cc1sc(N(CCC#N)Cc2ccccc2)nc1-c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(N(CCC(N)=O)Cc2ccccc2)nc1-c1ccc(Cl)c(Cl)c1.O=P(Cl)(Cl)Cl.[H]/N=C(\N)CCN(Cc1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1
InChIInChI=1S/C23H26Cl2N4S.C23H25Cl2N3OS.C23H23Cl2N3S.Cl3OP/c1-15(2)12-20-22(17-8-9-18(24)19(25)13-17)28-23(30-20)29(11-10-21(26)27)14-16-6-4-3-5-7-16;1-15(2)12-20-22(17-8-9-18(24)19(25)13-17)27-23(30-20)28(11-10-21(26)29)14-16-6-4-3-5-7-16;1-16(2)13-21-22(18-9-10-19(24)20(25)14-18)27-23(29-21)28(12-6-11-26)15-17-7-4-3-5-8-17;1-5(2,3)4/h3-9,13,15H,10-12,14H2,1-2H3,(H3,26,27);3-9,13,15H,10-12,14H2,1-2H3,(H2,26,29);3-5,7-10,14,16H,6,12-13,15H2,1-2H3;
InChIKeyIOEYOUOJNJLENJ-UHFFFAOYSA-N
MW1521.67 g/mol
LogP22.89
Rot. Bonds26

About 3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride

3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride (PubChem CID 167592044) has the molecular formula C69H74Cl9N10O2PS3 and a molecular weight of 1521.67 g/mol. Its IUPAC name is 3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride.

Molecular Properties

Compound Name3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride
PubChem CID167592044
Molecular FormulaC69H74Cl9N10O2PS3
Molecular Weight1521.67 g/mol
Exact Mass1516.21
IUPAC Name3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride
SMILESCC(C)Cc1sc(N(CCC#N)Cc2ccccc2)nc1-c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(N(CCC(N)=O)Cc2ccccc2)nc1-c1ccc(Cl)c(Cl)c1.O=P(Cl)(Cl)Cl.[H]/N=C(\N)CCN(Cc1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1
InChIInChI=1S/C23H26Cl2N4S.C23H25Cl2N3OS.C23H23Cl2N3S.Cl3OP/c1-15(2)12-20-22(17-8-9-18(24)19(25)13-17)28-23(30-20)29(11-10-21(26)27)14-16-6-4-3-5-7-16;1-15(2)12-20-22(17-8-9-18(24)19(25)13-17)27-23(30-20)28(11-10-21(26)29)14-16-6-4-3-5-7-16;1-16(2)13-21-22(18-9-10-19(24)20(25)14-18)27-23(29-21)28(12-6-11-26)15-17-7-4-3-5-8-17;1-5(2,3)4/h3-9,13,15H,10-12,14H2,1-2H3,(H3,26,27);3-9,13,15H,10-12,14H2,1-2H3,(H2,26,29);3-5,7-10,14,16H,6,12-13,15H2,1-2H3;
InChIKeyIOEYOUOJNJLENJ-UHFFFAOYSA-N
XLogP22.89
TPSA182.21 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds26
Heavy Atoms94
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001521.67
LogP ≤ 522.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride with MolForge

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Related Compounds

3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide
CID 156850133
2-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]ethanesulfonamide
CID 156849029
3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]-N-(2-hydroxyethyl)propanamide;ethane
CID 156849691
N-(2-aminoethylsulfanyl)-3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide
CID 156850000
3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-(3-phenylpropyl)amino]propanoic acid
CID 166023324
3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-[4-(dimethylamino)butyl]amino]propanoic acid
CID 166023459
3-[[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-[3-(dimethylamino)propyl]amino]propanoic acid
CID 166023307
3-[benzyl-[4-[4-(4-fluorophenyl)phenyl]-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 156849398
tert-butyl N-[2-[2-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]ethylsulfonylamino]-2-oxoethyl]carbamate
CID 156849462
3-[[4-(3-chloro-4-methylphenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]-[(2-hydroxyphenyl)methyl]amino]propanoic acid
CID 156849565
3-[1,3-benzodioxol-4-ylmethyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanoic acid
CID 156850145
tert-butyl N-[2-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]ethyliminomethyl]carbamate;tert-butyl N-methylcarbamate
CID 156849602

Frequently Asked Questions

What is the IUPAC name of 3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride?
The IUPAC name of 3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride (CID 167592044) is 3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride.
What is the SMILES notation for 3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride?
The canonical SMILES for 3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride is CC(C)Cc1sc(N(CCC#N)Cc2ccccc2)nc1-c1ccc(Cl)c(Cl)c1.CC(C)Cc1sc(N(CCC(N)=O)Cc2ccccc2)nc1-c1ccc(Cl)c(Cl)c1.O=P(Cl)(Cl)Cl.[H]/N=C(\N)CCN(Cc1ccccc1)c1nc(-c2ccc(Cl)c(Cl)c2)c(CC(C)C)s1.
What is the InChIKey of 3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride?
The InChIKey is IOEYOUOJNJLENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26Cl2N4S.C23H25Cl2N3OS.C23H23Cl2N3S.Cl3OP/c1-15(2)12-20-22(17-8-9-18(24)19(25)13-17)28-23(30-20)29(11-10-21(26)27)14-16-6-4-3-5-7-16;1-15(2)12-20-22(17-8-9-18(24)19(25)13-17)27-23(30-20)28(11-10-21(26)29)14-16-6-4-3-5-7-16;1-16(2)13-21-22(18-9-10-19(24)20(25)14-18)27-23(29-21)28(12-6-11-26)15-17-7-4-3-5-8-17;1-5(2,3)4/h3-9,13,15H,10-12,14H2,1-2H3,(H3,26,27);3-9,13,15H,10-12,14H2,1-2H3,(H2,26,29);3-5,7-10,14,16H,6,12-13,15H2,1-2H3;.
What are the key properties of 3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride?
3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride has a molecular weight of 1521.67 g/mol, XLogP of 22.89, 26 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanamide;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanenitrile;3-[benzyl-[4-(3,4-dichlorophenyl)-5-(2-methylpropyl)-1,3-thiazol-2-yl]amino]propanimidamide;phosphoryl trichloride is sourced from PubChem (CID 167592044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).