N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine

C22H23Cl2N3S — CID 19374879

IUPACN-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1ccncc1)C1CC1
InChIInChI=1S/C22H23Cl2N3S/c1-3-12-27(21(15-4-5-15)16-8-10-25-11-9-16)22-26-20(14(2)28-22)18-7-6-17(23)13-19(18)24/h6-11,13,15,21H,3-5,12H2,1-2H3
InChIKeyIRYXJLOKDPTPFG-UHFFFAOYSA-N
MW432.42 g/mol
LogP7.19
Rot. Bonds7

About N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine

N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine (PubChem CID 19374879) has the molecular formula C22H23Cl2N3S and a molecular weight of 432.42 g/mol. Its IUPAC name is N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
PubChem CID19374879
Molecular FormulaC22H23Cl2N3S
Molecular Weight432.42 g/mol
Exact Mass431.10
IUPAC NameN-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
SMILESCCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1ccncc1)C1CC1
InChIInChI=1S/C22H23Cl2N3S/c1-3-12-27(21(15-4-5-15)16-8-10-25-11-9-16)22-26-20(14(2)28-22)18-7-6-17(23)13-19(18)24/h6-11,13,15,21H,3-5,12H2,1-2H3
InChIKeyIRYXJLOKDPTPFG-UHFFFAOYSA-N
XLogP7.19
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.42
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[cyclopentyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374883
4-(2,4-dichlorophenyl)-N-(dicyclopropylmethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 19374892
[4-[cyclopropyl-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]methyl]phenyl]methyl sulfite
CID 174367590
2-cyclopropyl-2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]-1-(1H-imidazol-5-yl)ethanone
CID 139631526
4-(2,4-dichlorophenyl)-N-[2-(1-methoxyethoxy)-1-phenylethyl]-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 18967784
[2-[[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]-propylamino]-2-phenylethyl] acetate
CID 15291627
4-(2,4-dichlorophenyl)-5-methyl-N-[2-[2-(oxan-2-yloxy)ethoxy]-1-phenylethyl]-N-propyl-1,3-thiazol-2-amine
CID 57149312
4-(2-chloro-4-methoxyphenyl)-N-(2-methoxy-1-phenylethyl)-5-methyl-N-propyl-1,3-thiazol-2-amine
CID 18967770
N-[1-cyclopropyl-1-(1H-imidazol-5-yl)butan-2-yl]-4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-amine
CID 19374852
2-[4-(2,4-dichlorophenyl)-5-methyl-1,3-thiazol-2-yl]acetic acid
CID 4659961
4-(4-chloro-2-methoxyphenyl)-5-methyl-N-[[2-(methylsulfanylmethyl)phenyl]methyl]-N-propyl-1,3-thiazol-2-amine
CID 67660692
N-butan-2-yl-8-(2,4-dichlorophenyl)-2-ethyl-N-propylimidazo[1,2-a]pyrazin-3-amine
CID 22024605

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine (CID 19374879) is N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine is CCCN(c1nc(-c2ccc(Cl)cc2Cl)c(C)s1)C(c1ccncc1)C1CC1.
What is the InChIKey of N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
The InChIKey is IRYXJLOKDPTPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N3S/c1-3-12-27(21(15-4-5-15)16-8-10-25-11-9-16)22-26-20(14(2)28-22)18-7-6-17(23)13-19(18)24/h6-11,13,15,21H,3-5,12H2,1-2H3.
What are the key properties of N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine?
N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine has a molecular weight of 432.42 g/mol, XLogP of 7.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl(pyridin-4-yl)methyl]-4-(2,4-dichlorophenyl)-5-methyl-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 19374879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).