4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide

C18H17N3O2S — CID 71938352

IUPAC4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCc2nc(-c3ccccc3)cs2)n(C)c1
InChIInChI=1S/C18H17N3O2S/c1-12(22)14-8-16(21(2)10-14)18(23)19-9-17-20-15(11-24-17)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H,19,23)
InChIKeyNUIDVCUBWFVCHO-UHFFFAOYSA-N
MW339.42 g/mol
LogP3.28
Rot. Bonds5

About 4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide

4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide (PubChem CID 71938352) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
PubChem CID71938352
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)NCc2nc(-c3ccccc3)cs2)n(C)c1
InChIInChI=1S/C18H17N3O2S/c1-12(22)14-8-16(21(2)10-14)18(23)19-9-17-20-15(11-24-17)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H,19,23)
InChIKeyNUIDVCUBWFVCHO-UHFFFAOYSA-N
XLogP3.28
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 131931773
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112841611
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
4-acetyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1-methylpyrrole-2-carboxamide
CID 63311485
6-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1H-pyridazine-3-carboxamide
CID 51087114
1,1,3-trioxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2-propan-2-yl-1,2-benzothiazole-6-carboxamide
CID 55841683
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
2,5-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-(1,3-thiazol-2-yl)pyrrole-3-carboxamide
CID 78899764
4-methylsulfanyl-3-nitro-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 112841598
1-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide
CID 110467008
N-[4-[2-[(phenylcarbamoylamino)methyl]-1,3-thiazol-4-yl]phenyl]acetamide
CID 110351811

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide (CID 71938352) is 4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide is CC(=O)c1cc(C(=O)NCc2nc(-c3ccccc3)cs2)n(C)c1.
What is the InChIKey of 4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide?
The InChIKey is NUIDVCUBWFVCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-12(22)14-8-16(21(2)10-14)18(23)19-9-17-20-15(11-24-17)13-6-4-3-5-7-13/h3-8,10-11H,9H2,1-2H3,(H,19,23).
What are the key properties of 4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide?
4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-1-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 71938352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).