N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide

C22H26Cl2N2O4S — CID 55754212

IUPACN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCOCC1CCCO1)N(CC1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C22H26Cl2N2O4S/c23-15-5-6-18(19(24)11-15)20-14-31-22(25-20)26(12-16-3-1-8-29-16)21(27)7-10-28-13-17-4-2-9-30-17/h5-6,11,14,16-17H,1-4,7-10,12-13H2
InChIKeyGHCSGUVWLBNDFY-UHFFFAOYSA-N
MW485.43 g/mol
LogP5.21
Rot. Bonds9

About N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 55754212) has the molecular formula C22H26Cl2N2O4S and a molecular weight of 485.43 g/mol. Its IUPAC name is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide
PubChem CID55754212
Molecular FormulaC22H26Cl2N2O4S
Molecular Weight485.43 g/mol
Exact Mass484.10
IUPAC NameN-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide
SMILESO=C(CCOCC1CCCO1)N(CC1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1
InChIInChI=1S/C22H26Cl2N2O4S/c23-15-5-6-18(19(24)11-15)20-14-31-22(25-20)26(12-16-3-1-8-29-16)21(27)7-10-28-13-17-4-2-9-30-17/h5-6,11,14,16-17H,1-4,7-10,12-13H2
InChIKeyGHCSGUVWLBNDFY-UHFFFAOYSA-N
XLogP5.21
TPSA60.89 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.43
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 43024732
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 16563094
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-5-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 97069352
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 42908551
2-chloro-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 1172683
2-chloro-N-(oxolan-2-ylmethyl)-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 3173521
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 3189646
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-3-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 1176010
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-methoxy-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30669342
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-fluoro-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 1176007
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-N-[[(2S)-oxolan-2-yl]methyl]cyclohexanecarboxamide
CID 1138558
(2S)-N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]oxolane-2-carboxamide
CID 903662

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide (CID 55754212) is N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide is O=C(CCOCC1CCCO1)N(CC1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1.
What is the InChIKey of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is GHCSGUVWLBNDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26Cl2N2O4S/c23-15-5-6-18(19(24)11-15)20-14-31-22(25-20)26(12-16-3-1-8-29-16)21(27)7-10-28-13-17-4-2-9-30-17/h5-6,11,14,16-17H,1-4,7-10,12-13H2.
What are the key properties of N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide?
N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 485.43 g/mol, XLogP of 5.21, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]-3-(oxolan-2-ylmethoxy)-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 55754212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).