5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide

C15H19N3O2S — CID 95128802

IUPAC5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)N(C)[C@@H](C)c2nccs2)c1C
InChIInChI=1S/C15H19N3O2S/c1-8-12(9(2)17-13(8)11(4)19)15(20)18(5)10(3)14-16-6-7-21-14/h6-7,10,17H,1-5H3/t10-/m0/s1
InChIKeyPYWUJARVGHRDRQ-JTQLQIEISA-N
MW305.40 g/mol
LogP3.12
Rot. Bonds4

About 5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide

5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide (PubChem CID 95128802) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide
PubChem CID95128802
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide
SMILESCC(=O)c1[nH]c(C)c(C(=O)N(C)[C@@H](C)c2nccs2)c1C
InChIInChI=1S/C15H19N3O2S/c1-8-12(9(2)17-13(8)11(4)19)15(20)18(5)10(3)14-16-6-7-21-14/h6-7,10,17H,1-5H3/t10-/m0/s1
InChIKeyPYWUJARVGHRDRQ-JTQLQIEISA-N
XLogP3.12
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide with MolForge

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Related Compounds

(2S)-2-amino-N-methyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]propanamide
CID 96555462
N,4-dimethyl-2-oxo-6-piperidin-4-yl-N-[1-(1,3-thiazol-2-yl)ethyl]pyran-3-carboxamide;dihydrochloride
CID 171329715
N-methyl-2-(4-methylphenyl)-6-oxo-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 97116459
5-acetyl-N,2,4-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1H-pyrrole-3-carboxamide
CID 131905709
3-amino-N-methyl-4-phenyl-N-[(1R)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 99995878
(1R)-N,N-dimethyl-1-(1,3-thiazol-2-yl)ethanamine
CID 86335348
N-methyl-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50968047
2-[carboxymethyl-[1-(1,3-thiazol-2-yl)ethyl]amino]acetic acid
CID 65065646
N-methyl-2-propyl-N-[1-(1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 50982712
2-[(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)-methylamino]propanoic acid
CID 119209304
N,1-dimethyl-N-[1-(1,3-thiazol-2-yl)ethyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 50960045
propan-2-yl 2,4-dimethyl-5-[methyl(1-pyridin-4-ylethyl)carbamoyl]-1H-pyrrole-3-carboxylate
CID 60571192

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide (CID 95128802) is 5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide is CC(=O)c1[nH]c(C)c(C(=O)N(C)[C@@H](C)c2nccs2)c1C.
What is the InChIKey of 5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide?
The InChIKey is PYWUJARVGHRDRQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-8-12(9(2)17-13(8)11(4)19)15(20)18(5)10(3)14-16-6-7-21-14/h6-7,10,17H,1-5H3/t10-/m0/s1.
What are the key properties of 5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide?
5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N,2,4-trimethyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 95128802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).