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

C13H14ClN3O2S — CID 103292356

IUPAC2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1csc(CN)n1
InChIInChI=1S/C13H14ClN3O2S/c1-19-11-4-2-3-9(14)8(11)6-16-13(18)10-7-20-12(5-15)17-10/h2-4,7H,5-6,15H2,1H3,(H,16,18)
InChIKeyKOPNRHVPEMNWCJ-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.19
Rot. Bonds5

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

2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 103292356) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID103292356
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1csc(CN)n1
InChIInChI=1S/C13H14ClN3O2S/c1-19-11-4-2-3-9(14)8(11)6-16-13(18)10-7-20-12(5-15)17-10/h2-4,7H,5-6,15H2,1H3,(H,16,18)
InChIKeyKOPNRHVPEMNWCJ-UHFFFAOYSA-N
XLogP2.19
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 103293340
N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 103292671
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119747520
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645
2-(2-aminoethyl)-N-[(2,3-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120620520
2-(aminomethyl)-N-[2-(2-methoxyphenoxy)propyl]-1,3-thiazole-4-carboxamide
CID 119804819
2-(aminomethyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377255
2-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119718237
N-[(2-chloro-6-methoxyphenyl)methyl]-5-hydrazinylpyrazine-2-carboxamide
CID 107378745
2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66375672
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 103292356) is 2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1cccc(Cl)c1CNC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is KOPNRHVPEMNWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-19-11-4-2-3-9(14)8(11)6-16-13(18)10-7-20-12(5-15)17-10/h2-4,7H,5-6,15H2,1H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 311.79 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103292356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).