N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide

C14H15ClN2O2S — CID 110374810

IUPACN-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCc1nc(C)c(C(=O)NCc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClN2O2S/c1-9-13(20-12(17-9)8-19-2)14(18)16-7-10-3-5-11(15)6-4-10/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyBWZUOVUNCBKTLQ-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.18
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide

N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 110374810) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID110374810
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCc1nc(C)c(C(=O)NCc2ccc(Cl)cc2)s1
InChIInChI=1S/C14H15ClN2O2S/c1-9-13(20-12(17-9)8-19-2)14(18)16-7-10-3-5-11(15)6-4-10/h3-6H,7-8H2,1-2H3,(H,16,18)
InChIKeyBWZUOVUNCBKTLQ-UHFFFAOYSA-N
XLogP3.18
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carbonyl]amino]methyl]benzoic acid
CID 120512064
N-[(4-chlorophenyl)methyl]-4-methyl-2-(phenoxymethyl)-1,3-thiazole-5-carboxamide
CID 28936066
2-(methoxymethyl)-4-methyl-N-(2-phenylethyl)-1,3-thiazole-5-carboxamide
CID 110374817
N-[(4-chlorophenyl)methyl]-2-[2-(4-hydroxyphenyl)ethynyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 44596299
2-[(4-chlorophenoxy)methyl]-4-methyl-N-[(6-morpholin-4-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 46692053
2-[(4-chlorophenyl)carbamoylamino]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897590
2-(2-chlorophenyl)-N-[(4-chlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 39084095
2-(2-hydrazinyl-2-oxoethyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122172016
2-[2-(methoxymethyl)-4-methyl-1,3-thiazol-5-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 110374554
N-[2-[(4-chlorobenzoyl)amino]ethyl]-2-[(4-chlorophenoxy)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55546254
2-[2-(3-chloroanilino)-2-oxoethyl]-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 53169176
2-(4-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24948936

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 110374810) is N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide is COCc1nc(C)c(C(=O)NCc2ccc(Cl)cc2)s1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is BWZUOVUNCBKTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-13(20-12(17-9)8-19-2)14(18)16-7-10-3-5-11(15)6-4-10/h3-6H,7-8H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide?
N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 310.81 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-(methoxymethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110374810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).