N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

C13H14N2OS2 — CID 41088225

IUPACN-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1csc(-c2cccs2)n1)C1CC1
InChIInChI=1S/C13H14N2OS2/c1-8(9-4-5-9)14-12(16)10-7-18-13(15-10)11-3-2-6-17-11/h2-3,6-9H,4-5H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyICVANQIYWUHHRY-QMMMGPOBSA-N
MW278.40 g/mol
LogP3.40
Rot. Bonds4

About N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide

N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 41088225) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
PubChem CID41088225
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC NameN-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
SMILESC[C@H](NC(=O)c1csc(-c2cccs2)n1)C1CC1
InChIInChI=1S/C13H14N2OS2/c1-8(9-4-5-9)14-12(16)10-7-18-13(15-10)11-3-2-6-17-11/h2-3,6-9H,4-5H2,1H3,(H,14,16)/t8-/m0/s1
InChIKeyICVANQIYWUHHRY-QMMMGPOBSA-N
XLogP3.40
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}propanamide
CID 2738814
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}-3-thiophenecarboxamide
CID 2738823
N-methyl-2-(thiophen-2-yl)-1,3-thiazole-4-carboxamide
CID 1473850
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}cyclopropanecarboxamide
CID 2738812
2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)acetamide
CID 2532748
N-allyl-2-phenyl-1,3-thiazole-4-carboxamide
CID 2768692
N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 91800695
N-{[2-(2-thienyl)-1,3-thiazol-4-yl]methyl}cyclohexanecarboxamide
CID 2738811
N'4-isobutyryl-2-(2-thienyl)-1,3-thiazole-4-carbohydrazide
CID 2743955
N-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)ethyl]cyclopentanecarboxamide
CID 118524461
N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 123463801
US9216962, Cfh325-B
CID 71467629

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide (CID 41088225) is N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is C[C@H](NC(=O)c1csc(-c2cccs2)n1)C1CC1.
What is the InChIKey of N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ICVANQIYWUHHRY-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-8(9-4-5-9)14-12(16)10-7-18-13(15-10)11-3-2-6-17-11/h2-3,6-9H,4-5H2,1H3,(H,14,16)/t8-/m0/s1.
What are the key properties of N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide?
N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 278.40 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-cyclopropylethyl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 41088225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).