2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

C19H17ClN2O2S — CID 55716938

IUPAC2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOCc1cccc(CNC(=O)c2csc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C19H17ClN2O2S/c1-24-11-14-5-2-4-13(8-14)10-21-18(23)17-12-25-19(22-17)15-6-3-7-16(20)9-15/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyHMPGZQUFIDMUDI-UHFFFAOYSA-N
MW372.88 g/mol
LogP4.54
Rot. Bonds6

About 2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide

2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 55716938) has the molecular formula C19H17ClN2O2S and a molecular weight of 372.88 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID55716938
Molecular FormulaC19H17ClN2O2S
Molecular Weight372.88 g/mol
Exact Mass372.07
IUPAC Name2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
SMILESCOCc1cccc(CNC(=O)c2csc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C19H17ClN2O2S/c1-24-11-14-5-2-4-13(8-14)10-21-18(23)17-12-25-19(22-17)15-6-3-7-16(20)9-15/h2-9,12H,10-11H2,1H3,(H,21,23)
InChIKeyHMPGZQUFIDMUDI-UHFFFAOYSA-N
XLogP4.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.88
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-chlorophenyl)-N-[[3-(pyridine-4-carbonylamino)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 55978480
2-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119718237
N-[[3-(furan-2-ylmethoxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 55661067
2-(3-chlorophenyl)-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,3-thiazole-4-carboxamide
CID 56523815
2-[3-[(3-chlorophenyl)methoxy]phenyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 46066553
N-(3-aminobutyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 119496862
2-(3-chlorophenyl)-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 55683273
2-[3-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(pyridin-4-ylmethyl)-1,3-thiazole-4-carboxamide
CID 46066676
6-[[2-(3-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]hexanoic acid
CID 119220176
N-(4-acetamidophenyl)-2-(3-chlorophenyl)-1,3-thiazole-4-carboxamide
CID 46479944
2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 46065939
2-[4-[(3-chlorophenyl)methoxy]-2-fluorophenyl]-N-[(3-fluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 46066945

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide (CID 55716938) is 2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is COCc1cccc(CNC(=O)c2csc(-c3cccc(Cl)c3)n2)c1.
What is the InChIKey of 2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HMPGZQUFIDMUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2S/c1-24-11-14-5-2-4-13(8-14)10-21-18(23)17-12-25-19(22-17)15-6-3-7-16(20)9-15/h2-9,12H,10-11H2,1H3,(H,21,23).
What are the key properties of 2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide?
2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 372.88 g/mol, XLogP of 4.54, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 55716938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).