2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

C14H17N3O2S — CID 119747520

IUPAC2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2csc(CN)n2)ccc1C
InChIInChI=1S/C14H17N3O2S/c1-9-3-4-10(5-12(9)19-2)7-16-14(18)11-8-20-13(6-15)17-11/h3-5,8H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyALRXTACXPDDPBR-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.85
Rot. Bonds5

About 2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 119747520) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID119747520
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cc(CNC(=O)c2csc(CN)n2)ccc1C
InChIInChI=1S/C14H17N3O2S/c1-9-3-4-10(5-12(9)19-2)7-16-14(18)11-8-20-13(6-15)17-11/h3-5,8H,6-7,15H2,1-2H3,(H,16,18)
InChIKeyALRXTACXPDDPBR-UHFFFAOYSA-N
XLogP1.85
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377643
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119718237
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66380424
2-(aminomethyl)-N-[2-(3-fluoro-4-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119774846
2-(aminomethyl)-N-[3-(3-ethoxy-4-methoxyphenyl)propyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119786408
2-(1-aminoethyl)-N-[(3,4-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3757058
2-(2-aminoethyl)-N-[3-(3,4-dimethoxyphenyl)propyl]-1,3-thiazole-4-carboxamide
CID 120626306
2-(aminomethyl)-N-[(2-chloro-6-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 103292356
2-(aminomethyl)-N-[1-(3,4-dimethoxyphenyl)propan-2-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119777161
2-(aminomethyl)-N-[[3-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119847461
2-(2-aminoethyl)-N-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 120619873

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 119747520) is 2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1cc(CNC(=O)c2csc(CN)n2)ccc1C.
What is the InChIKey of 2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is ALRXTACXPDDPBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-3-4-10(5-12(9)19-2)7-16-14(18)11-8-20-13(6-15)17-11/h3-5,8H,6-7,15H2,1-2H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119747520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).