N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide

C18H13N3O2S2 — CID 91813757

IUPACN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide
SMILESN#Cc1c(NC(=O)c2ccc(Oc3nccs3)cc2)sc2c1CCC2
InChIInChI=1S/C18H13N3O2S2/c19-10-14-13-2-1-3-15(13)25-17(14)21-16(22)11-4-6-12(7-5-11)23-18-20-8-9-24-18/h4-9H,1-3H2,(H,21,22)
InChIKeyZMHUORTUCVPKPO-UHFFFAOYSA-N
MW367.46 g/mol
LogP4.61
Rot. Bonds4

About N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide (PubChem CID 91813757) has the molecular formula C18H13N3O2S2 and a molecular weight of 367.46 g/mol. Its IUPAC name is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide.

Molecular Properties

Compound NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide
PubChem CID91813757
Molecular FormulaC18H13N3O2S2
Molecular Weight367.46 g/mol
Exact Mass367.04
IUPAC NameN-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide
SMILESN#Cc1c(NC(=O)c2ccc(Oc3nccs3)cc2)sc2c1CCC2
InChIInChI=1S/C18H13N3O2S2/c19-10-14-13-2-1-3-15(13)25-17(14)21-16(22)11-4-6-12(7-5-11)23-18-20-8-9-24-18/h4-9H,1-3H2,(H,21,22)
InChIKeyZMHUORTUCVPKPO-UHFFFAOYSA-N
XLogP4.61
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.46
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-methoxybenzamide
CID 775351
1-N,4-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,4-dicarboxamide
CID 2452546
4-amino-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 61116925
3,4-dichloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)benzamide
CID 674018
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-fluorobenzamide
CID 674789
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-1H-pyrazole-4-carboxamide
CID 61258931
4-chloro-N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)pyridine-2-carboxamide
CID 60656530
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)naphthalene-2-carboxamide
CID 962559
N-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)carbamothioyl]-4-(2-methoxyethoxy)benzamide
CID 17353875
3-bromo-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)thiophene-2-carboxamide
CID 60778618
1-N,3-N-bis(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)benzene-1,3-dicarboxamide
CID 4642174
4-[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethoxy]-N-(2,5-dimethylphenyl)benzamide
CID 1188051

Frequently Asked Questions

What is the IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide?
The IUPAC name of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide (CID 91813757) is N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide.
What is the SMILES notation for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide?
The canonical SMILES for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide is N#Cc1c(NC(=O)c2ccc(Oc3nccs3)cc2)sc2c1CCC2.
What is the InChIKey of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide?
The InChIKey is ZMHUORTUCVPKPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O2S2/c19-10-14-13-2-1-3-15(13)25-17(14)21-16(22)11-4-6-12(7-5-11)23-18-20-8-9-24-18/h4-9H,1-3H2,(H,21,22).
What are the key properties of N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide?
N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide has a molecular weight of 367.46 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)-4-(1,3-thiazol-2-yloxy)benzamide is sourced from PubChem (CID 91813757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).