trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide

C12H11ClN2OS2 — CID 2574692

IUPACtrans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C12H11ClN2OS2/c1-6-4-7(6)11(16)15-12-14-8(5-17-12)9-2-3-10(13)18-9/h2-3,5-7H,4H2,1H3,(H,14,15,16)/t6-,7-/m1/s1
InChIKeyVPBDBUXTFWYQTO-RNFRBKRXSA-N
MW298.82 g/mol
LogP4.12
Rot. Bonds3

About trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 2574692) has the molecular formula C12H11ClN2OS2 and a molecular weight of 298.82 g/mol. Its IUPAC name is trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID2574692
Molecular FormulaC12H11ClN2OS2
Molecular Weight298.82 g/mol
Exact Mass298.00
IUPAC Nametrans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1
InChIInChI=1S/C12H11ClN2OS2/c1-6-4-7(6)11(16)15-12-14-8(5-17-12)9-2-3-10(13)18-9/h2-3,5-7H,4H2,1H3,(H,14,15,16)/t6-,7-/m1/s1
InChIKeyVPBDBUXTFWYQTO-RNFRBKRXSA-N
XLogP4.12
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cis-(1S,2R)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 8838993
trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95351827
trans-(1S,2S)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(furan-2-yl)cyclopropane-1-carboxamide
CID 95351826
trans-(1S,2S)-2-methyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 2449771
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 2373735
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-5-methylpyrazine-2-carboxamide
CID 8892333
cis-(1R,2S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 2453305
4-tert-butyl-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]benzamide
CID 5002157
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 4968210
trans-(1R,2R)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820829
trans-(1S,2S)-N-[4-(2,4-dimethylphenyl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
CID 40820828
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2,6-dimethoxybenzamide
CID 4224171

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide (CID 2574692) is trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is VPBDBUXTFWYQTO-RNFRBKRXSA-N. The full InChI is InChI=1S/C12H11ClN2OS2/c1-6-4-7(6)11(16)15-12-14-8(5-17-12)9-2-3-10(13)18-9/h2-3,5-7H,4H2,1H3,(H,14,15,16)/t6-,7-/m1/s1.
What are the key properties of trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 298.82 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 2574692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).