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

C13H16N2OS2 — CID 94033085

IUPACN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H](C)c2sc(C)nc2C)s1
InChIInChI=1S/C13H16N2OS2/c1-7-5-6-11(17-7)13(16)15-9(3)12-8(2)14-10(4)18-12/h5-6,9H,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeyJFKCPOLDHIPULZ-SECBINFHSA-N
MW280.42 g/mol
LogP3.62
Rot. Bonds3

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

N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide (PubChem CID 94033085) has the molecular formula C13H16N2OS2 and a molecular weight of 280.42 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
PubChem CID94033085
Molecular FormulaC13H16N2OS2
Molecular Weight280.42 g/mol
Exact Mass280.07
IUPAC NameN-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide
SMILESCc1ccc(C(=O)N[C@H](C)c2sc(C)nc2C)s1
InChIInChI=1S/C13H16N2OS2/c1-7-5-6-11(17-7)13(16)15-9(3)12-8(2)14-10(4)18-12/h5-6,9H,1-4H3,(H,15,16)/t9-/m1/s1
InChIKeyJFKCPOLDHIPULZ-SECBINFHSA-N
XLogP3.62
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-fluorobenzamide
CID 47317355
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-sulfanylthiophene-2-carboxamide
CID 107025593
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-3,5-dihydroxybenzamide
CID 104938902
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-(methylamino)benzamide
CID 62174107
3-amino-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-4-methylbenzamide
CID 61193208
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 110470867
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]furan-2-carboxamide
CID 47317372
5-methyl-N-[(1R)-1-pyridin-4-ylethyl]thiophene-2-carboxamide
CID 34759113
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-(methylamino)benzamide
CID 61376507
N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-2-hydroxy-4-methylbenzamide
CID 47317319
3-bromo-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]thiophene-2-carboxamide
CID 47317475
4-(chloromethyl)-N-[1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 61192187

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide (CID 94033085) is N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide is Cc1ccc(C(=O)N[C@H](C)c2sc(C)nc2C)s1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide?
The InChIKey is JFKCPOLDHIPULZ-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2OS2/c1-7-5-6-11(17-7)13(16)15-9(3)12-8(2)14-10(4)18-12/h5-6,9H,1-4H3,(H,15,16)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide?
N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide has a molecular weight of 280.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 94033085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).