3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C14H12ClN3O2S2 — CID 75416088

IUPAC3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)C1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C14H12ClN3O2S2/c15-12-5-4-11(21-12)8-6-9(20-18-8)13(19)17-14-16-7-2-1-3-10(7)22-14/h4-5,9H,1-3,6H2,(H,16,17,19)
InChIKeyFTKXGHWTQGLMTA-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.48
Rot. Bonds3

About 3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 75416088) has the molecular formula C14H12ClN3O2S2 and a molecular weight of 353.86 g/mol. Its IUPAC name is 3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID75416088
Molecular FormulaC14H12ClN3O2S2
Molecular Weight353.86 g/mol
Exact Mass353.01
IUPAC Name3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1nc2c(s1)CCC2)C1CC(c2ccc(Cl)s2)=NO1
InChIInChI=1S/C14H12ClN3O2S2/c15-12-5-4-11(21-12)8-6-9(20-18-8)13(19)17-14-16-7-2-1-3-10(7)22-14/h4-5,9H,1-3,6H2,(H,16,17,19)
InChIKeyFTKXGHWTQGLMTA-UHFFFAOYSA-N
XLogP3.48
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 75416088) is 3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1nc2c(s1)CCC2)C1CC(c2ccc(Cl)s2)=NO1.
What is the InChIKey of 3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is FTKXGHWTQGLMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O2S2/c15-12-5-4-11(21-12)8-6-9(20-18-8)13(19)17-14-16-7-2-1-3-10(7)22-14/h4-5,9H,1-3,6H2,(H,16,17,19).
What are the key properties of 3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 353.86 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chlorothiophen-2-yl)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 75416088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).