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

C12H11ClN2OS2 — CID 4834251

IUPACN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=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)
InChIKeyVPBDBUXTFWYQTO-UHFFFAOYSA-N
MW298.82 g/mol
LogP4.12
Rot. Bonds3

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

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide (PubChem CID 4834251) has the molecular formula C12H11ClN2OS2 and a molecular weight of 298.82 g/mol. Its IUPAC name is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
PubChem CID4834251
Molecular FormulaC12H11ClN2OS2
Molecular Weight298.82 g/mol
Exact Mass298.00
IUPAC NameN-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide
SMILESCC1CC1C(=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)
InChIKeyVPBDBUXTFWYQTO-UHFFFAOYSA-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

N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]-4-methylbenzamide
CID 4200465
5-chloro-N-(4-(thiophen-2-yl)thiazol-2-yl)thiophene-2-carboxamide
CID 3567787
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2168035
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-chlorothiophene-2-carboxamide
CID 1247280
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]benzamide
CID 4168447
N-[4-(thiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 693802
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 3143144
N-[4-(5-chloro-2-thienyl)-1,3-thiazol-2-yl]benzamide
CID 801259
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]carbamothioyl]thiophene-2-carboxamide
CID 1342967
N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylacetamide
CID 2158858
N-[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 2415029
N-[4-(4,5-dichlorothiophen-2-yl)-1,3-thiazol-2-yl]acetamide
CID 2740553

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide (CID 4834251) is N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide is CC1CC1C(=O)Nc1nc(-c2ccc(Cl)s2)cs1.
What is the InChIKey of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is VPBDBUXTFWYQTO-UHFFFAOYSA-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).
What are the key properties of N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide?
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 N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 4834251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).