N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

C12H11ClN2O2S — CID 103292671

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cscn1
InChIInChI=1S/C12H11ClN2O2S/c1-17-11-4-2-3-9(13)8(11)5-14-12(16)10-6-18-7-15-10/h2-4,6-7H,5H2,1H3,(H,14,16)
InChIKeySHUPRSQKXDZROS-UHFFFAOYSA-N
MW282.75 g/mol
LogP2.74
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide

N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 103292671) has the molecular formula C12H11ClN2O2S and a molecular weight of 282.75 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID103292671
Molecular FormulaC12H11ClN2O2S
Molecular Weight282.75 g/mol
Exact Mass282.02
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cscn1
InChIInChI=1S/C12H11ClN2O2S/c1-17-11-4-2-3-9(13)8(11)5-14-12(16)10-6-18-7-15-10/h2-4,6-7H,5H2,1H3,(H,14,16)
InChIKeySHUPRSQKXDZROS-UHFFFAOYSA-N
XLogP2.74
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.75
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 91460435
4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 103293340
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 103292356
N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378745
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 103293349
1-amino-3-[(2-chloro-6-methoxyphenyl)methyl]urea
CID 103293245
N-[(2-chloro-6-methoxyphenyl)methyl]-2-(2-hydroxyphenyl)acetamide
CID 103292723
N-[2-(2,6-dichlorophenyl)-2-hydroxyethyl]-1,3-thiazole-4-carboxamide
CID 111452353
N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038
N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
CID 103292680
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 103292671) is N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1cccc(Cl)c1CNC(=O)c1cscn1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is SHUPRSQKXDZROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2S/c1-17-11-4-2-3-9(13)8(11)5-14-12(16)10-6-18-7-15-10/h2-4,6-7H,5H2,1H3,(H,14,16).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 282.75 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103292671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).