2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide

C16H18N4O2S — CID 119684716

IUPAC2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cs1
InChIInChI=1S/C16H18N4O2S/c17-9-14-18-13(10-23-14)15(21)19-12-6-2-1-5-11(12)16(22)20-7-3-4-8-20/h1-2,5-6,10H,3-4,7-9,17H2,(H,19,21)
InChIKeyGMCWGAYDHXXBCN-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.09
Rot. Bonds4

About 2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 119684716) has the molecular formula C16H18N4O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
PubChem CID119684716
Molecular FormulaC16H18N4O2S
Molecular Weight330.41 g/mol
Exact Mass330.12
IUPAC Name2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cs1
InChIInChI=1S/C16H18N4O2S/c17-9-14-18-13(10-23-14)15(21)19-12-6-2-1-5-11(12)16(22)20-7-3-4-8-20/h1-2,5-6,10H,3-4,7-9,17H2,(H,19,21)
InChIKeyGMCWGAYDHXXBCN-UHFFFAOYSA-N
XLogP2.09
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-[5-chloro-2-(piperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119711879
2-(aminomethyl)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 119759911
2-benzyl-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide
CID 60610214
2-(2-aminoethyl)-N-[2-(3,5-dimethylpiperidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120621704
[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 119710424
2-(aminomethyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119693892
2-(aminomethyl)-N-(2,3-dichlorophenyl)-1,3-thiazole-4-carboxamide
CID 66375672
2-(aminomethyl)-N-[2-(methoxymethyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66376075
2-(aminomethyl)-N-(2-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66375860
2-[4-[2-(aminomethyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]-N-(2-chlorophenyl)acetamide;dihydrochloride
CID 119833689
N-[2-(azepane-1-carbonyl)phenyl]-2-chlorobenzamide
CID 2985638
2-(2-aminoethyl)-N-[2-(azepan-1-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 120641148

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide (CID 119684716) is 2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is GMCWGAYDHXXBCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2S/c17-9-14-18-13(10-23-14)15(21)19-12-6-2-1-5-11(12)16(22)20-7-3-4-8-20/h1-2,5-6,10H,3-4,7-9,17H2,(H,19,21).
What are the key properties of 2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 330.41 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119684716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).