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

C13H15N3O2S — CID 66377643

IUPAC2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2csc(CN)n2)c1
InChIInChI=1S/C13H15N3O2S/c1-18-10-4-2-3-9(5-10)7-15-13(17)11-8-19-12(6-14)16-11/h2-5,8H,6-7,14H2,1H3,(H,15,17)
InChIKeyFCEFEYWLUQDCPE-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.54
Rot. Bonds5

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

2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 66377643) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID66377643
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
SMILESCOc1cccc(CNC(=O)c2csc(CN)n2)c1
InChIInChI=1S/C13H15N3O2S/c1-18-10-4-2-3-9(5-10)7-15-13(17)11-8-19-12(6-14)16-11/h2-5,8H,6-7,14H2,1H3,(H,15,17)
InChIKeyFCEFEYWLUQDCPE-UHFFFAOYSA-N
XLogP1.54
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[[3-(methoxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119718237
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
2-(aminomethyl)-N-[[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119712259
2-(aminomethyl)-N-[(3-methoxy-4-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 119747520
2-(aminomethyl)-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119712592
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119765496
2-(aminomethyl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119765495
2-(aminomethyl)-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119734832
2-(aminomethyl)-N-[[3-(diethylaminomethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 119847461
2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 90506242
2-(aminomethyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119837718
2-(aminomethyl)-N-[(2-methoxy-3-pyridinyl)methyl]-1,3-thiazole-4-carboxamide
CID 66377255

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide (CID 66377643) is 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is COc1cccc(CNC(=O)c2csc(CN)n2)c1.
What is the InChIKey of 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FCEFEYWLUQDCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-18-10-4-2-3-9(5-10)7-15-13(17)11-8-19-12(6-14)16-11/h2-5,8H,6-7,14H2,1H3,(H,15,17).
What are the key properties of 2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[(3-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 277.35 g/mol, XLogP of 1.54, 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-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66377643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).