trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide

C15H11ClN2O2S2 — CID 95351826

IUPACtrans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C15H11ClN2O2S2/c16-13-4-3-12(22-13)10-7-21-15(17-10)18-14(19)9-6-8(9)11-2-1-5-20-11/h1-5,7-9H,6H2,(H,17,18,19)/t8-,9-/m0/s1
InChIKeyPXRROMDHVHEBKK-IUCAKERBSA-N
MW350.85 g/mol
LogP4.86
Rot. Bonds4

About trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide (PubChem CID 95351826) has the molecular formula C15H11ClN2O2S2 and a molecular weight of 350.85 g/mol. Its IUPAC name is trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
PubChem CID95351826
Molecular FormulaC15H11ClN2O2S2
Molecular Weight350.85 g/mol
Exact Mass350.00
IUPAC Nametrans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
SMILESO=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1C[C@@H]1c1ccco1
InChIInChI=1S/C15H11ClN2O2S2/c16-13-4-3-12(22-13)10-7-21-15(17-10)18-14(19)9-6-8(9)11-2-1-5-20-11/h1-5,7-9H,6H2,(H,17,18,19)/t8-,9-/m0/s1
InChIKeyPXRROMDHVHEBKK-IUCAKERBSA-N
XLogP4.86
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.85
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95351827
trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2574692
N-(4-acetyl-1,3-thiazol-2-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47450059
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2373735
trans-(1R,2R)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 97018748
trans-(1S,2S)-2-(furan-2-yl)-N-(3-methylsulfanyl-1,2,4-thiadiazol-5-yl)cyclopropane-1-carboxamide
CID 97018747
N-[4-[[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]furan-2-carboxamide
CID 39754241
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 8892333
3-chloro-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 2330663
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4224171
N-(2,5-dimethylpyrazol-3-yl)-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 47449977

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide (CID 95351826) is trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide is O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1C[C@@H]1c1ccco1.
What is the InChIKey of trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is PXRROMDHVHEBKK-IUCAKERBSA-N. The full InChI is InChI=1S/C15H11ClN2O2S2/c16-13-4-3-12(22-13)10-7-21-15(17-10)18-14(19)9-6-8(9)11-2-1-5-20-11/h1-5,7-9H,6H2,(H,17,18,19)/t8-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 350.85 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 95351826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).