5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide

C13H15ClN2OS2 — CID 96575331

IUPAC5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCc1nc([C@@H](C)N(C)C(=O)c2ccc(Cl)s2)c(C)s1
InChIInChI=1S/C13H15ClN2OS2/c1-7(12-8(2)18-9(3)15-12)16(4)13(17)10-5-6-11(14)19-10/h5-7H,1-4H3/t7-/m1/s1
InChIKeyNCDHNVDZSYTLPR-SSDOTTSWSA-N
MW314.86 g/mol
LogP4.31
Rot. Bonds3

About 5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide

5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide (PubChem CID 96575331) has the molecular formula C13H15ClN2OS2 and a molecular weight of 314.86 g/mol. Its IUPAC name is 5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide
PubChem CID96575331
Molecular FormulaC13H15ClN2OS2
Molecular Weight314.86 g/mol
Exact Mass314.03
IUPAC Name5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide
SMILESCc1nc([C@@H](C)N(C)C(=O)c2ccc(Cl)s2)c(C)s1
InChIInChI=1S/C13H15ClN2OS2/c1-7(12-8(2)18-9(3)15-12)16(4)13(17)10-5-6-11(14)19-10/h5-7H,1-4H3/t7-/m1/s1
InChIKeyNCDHNVDZSYTLPR-SSDOTTSWSA-N
XLogP4.31
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-{3-[(5-Chlorothiophen-2-yl)carbonylamino]propyl}-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
CID 53323722
N-{1-[(5-Methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl)carbonyl]piperidin-4-yl}-5-chlorothiophene-2-carboxamide
CID 53324997
N-(2-amino-2-oxoethyl)-2-(5-chlorothiophen-2-yl)-N,4-dimethyl-1,3-thiazole-5-carboxamide
CID 47437335
N-(4-amino-4-oxobutyl)-2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 48857147
N-(2-acetamidoethyl)-2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 53537564
N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]thiophene-2-carboxamide
CID 7196993
N-butyl-2-(5-chlorothiophen-2-yl)-4-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 56126675
2-(5-chlorothiophen-2-yl)-N,4-dimethyl-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 56129068
N-[(5-chlorothiophen-2-yl)methyl]-N-ethyl-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 100684155
N-(3-amino-2,2-difluoropropyl)-2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxamide;hydrochloride
CID 120408554
N-(3-amino-2,2-difluoropropyl)-2-(5-chlorothiophen-2-yl)-4-methyl-1,3-thiazole-5-carboxamide
CID 120408555
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 45823076

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide (CID 96575331) is 5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide is Cc1nc([C@@H](C)N(C)C(=O)c2ccc(Cl)s2)c(C)s1.
What is the InChIKey of 5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is NCDHNVDZSYTLPR-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H15ClN2OS2/c1-7(12-8(2)18-9(3)15-12)16(4)13(17)10-5-6-11(14)19-10/h5-7H,1-4H3/t7-/m1/s1.
What are the key properties of 5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide?
5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 314.86 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(1R)-1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 96575331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).