N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

C16H18FN3OS — CID 119567922

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCC1(NC(=O)c2csc(-c3ccccc3F)n2)CCCC1
InChIInChI=1S/C16H18FN3OS/c17-12-6-2-1-5-11(12)15-19-13(9-22-15)14(21)20-16(10-18)7-3-4-8-16/h1-2,5-6,9H,3-4,7-8,10,18H2,(H,20,21)
InChIKeyLMVDOSHJCSQACA-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.95
Rot. Bonds4

About N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide

N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 119567922) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID119567922
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESNCC1(NC(=O)c2csc(-c3ccccc3F)n2)CCCC1
InChIInChI=1S/C16H18FN3OS/c17-12-6-2-1-5-11(12)15-19-13(9-22-15)14(21)20-16(10-18)7-3-4-8-16/h1-2,5-6,9H,3-4,7-8,10,18H2,(H,20,21)
InChIKeyLMVDOSHJCSQACA-UHFFFAOYSA-N
XLogP2.95
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(aminomethyl)cyclopentyl]-2-(5-methylfuran-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119568385
N-[1-(aminomethyl)cyclopentyl]-2-(3-nitrophenyl)-1,3-thiazole-4-carboxamide
CID 119568446
2-[1-[[2-(2-chlorophenyl)-1,3-thiazole-4-carbonyl]amino]cyclobutyl]acetic acid
CID 119217904
N-ethoxy-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 47078287
N-(1-amino-2-methylpropan-2-yl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119524567
N-(2-amino-1-cyclopropylethyl)-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide
CID 119617053
2-(2-fluorophenyl)-1,3-thiazole-4-carboxylic acid
CID 43142306
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide
CID 63753788
(3S)-3-[[2-(2-fluorophenyl)-1,3-thiazole-4-carbonyl]amino]-3-phenylpropanoic acid
CID 71239923
2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-1,3-thiazole-4-carboxamide
CID 120826543
N-[1-(aminomethyl)cyclopentyl]-5-chloropyridine-2-carboxamide;dihydrochloride
CID 119566570
N-[1-(aminomethyl)cyclopentyl]-4-fluorobenzamide;hydrochloride
CID 119567161

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 119567922) is N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is NCC1(NC(=O)c2csc(-c3ccccc3F)n2)CCCC1.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is LMVDOSHJCSQACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c17-12-6-2-1-5-11(12)15-19-13(9-22-15)14(21)20-16(10-18)7-3-4-8-16/h1-2,5-6,9H,3-4,7-8,10,18H2,(H,20,21).
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 319.40 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(2-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119567922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).