1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide

C20H23N3OS — CID 166634861

IUPAC1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C(C)(C)C)cs2)cn1Cc1ccccc1
InChIInChI=1S/C20H23N3OS/c1-14-10-16(12-23(14)11-15-8-6-5-7-9-15)18(24)22-19-21-17(13-25-19)20(2,3)4/h5-10,12-13H,11H2,1-4H3,(H,21,22,24)
InChIKeyCXMDUDYRAQOKBM-UHFFFAOYSA-N
MW353.49 g/mol
LogP4.85
Rot. Bonds4

About 1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide

1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide (PubChem CID 166634861) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is 1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide
PubChem CID166634861
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C(C)(C)C)cs2)cn1Cc1ccccc1
InChIInChI=1S/C20H23N3OS/c1-14-10-16(12-23(14)11-15-8-6-5-7-9-15)18(24)22-19-21-17(13-25-19)20(2,3)4/h5-10,12-13H,11H2,1-4H3,(H,21,22,24)
InChIKeyCXMDUDYRAQOKBM-UHFFFAOYSA-N
XLogP4.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-Pyridinecarboxamide, N-(4-phenyl-2-thiazolyl)-
CID 203433
N-[4-(3,5-dimethylphenyl)-5-(4-pyridyl)-1,3-thiazol-2-yl]nicotinamide
CID 22282339
N-(4-phenyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 790259
N-(4-(4-bromophenyl)thiazol-2-yl)nicotinamide
CID 1114484
3-Pyridinecarboxamide, N-(4-(4-chlorophenyl)-2-thiazolyl)-
CID 684716
N-(4-Pyridin-2-yl-thiazol-2-yl)-benzamide
CID 4119262
N-(4-methyl-1,3-thiazol-2-yl)pyridine-4-carboxamide
CID 1204786
(E)-3-phenyl-N-(4-pyridin-4-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 5829079
N-(5-methyl-4-phenyl-1,3-thiazol-2-yl)nicotinamide
CID 804510
2-Fluoro-N-[4-(Pyridin-4-Yl)-1,3-Thiazol-2-Yl]benzamide
CID 10402473
N-[4-(3,5-dimethylphenyl)-5-pyridin-4-yl-1,3-thiazol-2-yl]-5-tritiopyridine-3-carboxamide
CID 166635231
1-(4-{[4-(Pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)ethanone
CID 972912

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide?
The IUPAC name of 1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide (CID 166634861) is 1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide is Cc1cc(C(=O)Nc2nc(C(C)(C)C)cs2)cn1Cc1ccccc1.
What is the InChIKey of 1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide?
The InChIKey is CXMDUDYRAQOKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-14-10-16(12-23(14)11-15-8-6-5-7-9-15)18(24)22-19-21-17(13-25-19)20(2,3)4/h5-10,12-13H,11H2,1-4H3,(H,21,22,24).
What are the key properties of 1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide?
1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide has a molecular weight of 353.49 g/mol, XLogP of 4.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4-tert-butyl-1,3-thiazol-2-yl)-5-methylpyrrole-3-carboxamide is sourced from PubChem (CID 166634861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).