N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

C16H20N4O2S2 — CID 119604992

IUPACN-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESNCC1CCCC1NC(=O)Cc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C16H20N4O2S2/c17-8-10-3-1-4-12(10)19-14(21)7-11-9-24-16(18-11)20-15(22)13-5-2-6-23-13/h2,5-6,9-10,12H,1,3-4,7-8,17H2,(H,19,21)(H,18,20,22)
InChIKeyOJUNCQDDIBBADS-UHFFFAOYSA-N
MW364.50 g/mol
LogP2.24
Rot. Bonds6

About N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide

N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (PubChem CID 119604992) has the molecular formula C16H20N4O2S2 and a molecular weight of 364.50 g/mol. Its IUPAC name is N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
PubChem CID119604992
Molecular FormulaC16H20N4O2S2
Molecular Weight364.50 g/mol
Exact Mass364.10
IUPAC NameN-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
SMILESNCC1CCCC1NC(=O)Cc1csc(NC(=O)c2cccs2)n1
InChIInChI=1S/C16H20N4O2S2/c17-8-10-3-1-4-12(10)19-14(21)7-11-9-24-16(18-11)20-15(22)13-5-2-6-23-13/h2,5-6,9-10,12H,1,3-4,7-8,17H2,(H,19,21)(H,18,20,22)
InChIKeyOJUNCQDDIBBADS-UHFFFAOYSA-N
XLogP2.24
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.50
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119478812
N-[4-[2-[(4-aminocyclohexyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 119478811
N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylfuran-3-carboxamide;dihydrochloride
CID 119603182
N-[4-[2-[[1-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119568260
N-[4-[2-oxo-2-(1,3,4-thiadiazol-2-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 29369939
N-[3-[[2-(aminomethyl)cyclohexyl]amino]-3-oxopropyl]thiophene-2-carboxamide;hydrochloride
CID 119611841
N-[4-(2-anilino-2-oxoethyl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 17414617
N-[4-[2-[[(2S)-1-aminopropan-2-yl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide;dihydrochloride
CID 120507248
N-[4-[2-[3-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 119487058
N-[4-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 16820241
N-[4-[2-oxo-2-(pyridin-4-ylamino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51275054
N-[4-[2-[[cyclopropyl(phenyl)methyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 51295992

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide (CID 119604992) is N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is NCC1CCCC1NC(=O)Cc1csc(NC(=O)c2cccs2)n1.
What is the InChIKey of N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
The InChIKey is OJUNCQDDIBBADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S2/c17-8-10-3-1-4-12(10)19-14(21)7-11-9-24-16(18-11)20-15(22)13-5-2-6-23-13/h2,5-6,9-10,12H,1,3-4,7-8,17H2,(H,19,21)(H,18,20,22).
What are the key properties of N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide?
N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide has a molecular weight of 364.50 g/mol, XLogP of 2.24, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[[2-(aminomethyl)cyclopentyl]amino]-2-oxoethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 119604992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).