3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide

C16H19N3O2S — CID 110439900

IUPAC3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2nc(C(C)C)cs2)c1
InChIInChI=1S/C16H19N3O2S/c1-10(2)14-9-22-15(19-14)8-17-16(21)12-5-4-6-13(7-12)18-11(3)20/h4-7,9-10H,8H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyIIJBTGIXIBYDQQ-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.15
Rot. Bonds5

About 3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide

3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 110439900) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is 3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID110439900
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC Name3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCC(=O)Nc1cccc(C(=O)NCc2nc(C(C)C)cs2)c1
InChIInChI=1S/C16H19N3O2S/c1-10(2)14-9-22-15(19-14)8-17-16(21)12-5-4-6-13(7-12)18-11(3)20/h4-7,9-10H,8H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyIIJBTGIXIBYDQQ-UHFFFAOYSA-N
XLogP3.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110444040
2-amino-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,3-benzothiazole-6-carboxamide
CID 110451539
1-(3-chlorophenyl)-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110446875
3-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 13177095
3,4,5-trimethoxy-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110443343
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
3-acetamido-N-ethylbenzamide
CID 17230670
N-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]pyridine-4-carboxamide
CID 110444853
3-acetamido-N-(3-methylbutyl)benzamide
CID 17458569
3-N-(3-acetamidophenyl)-1-N-(2-methylpropyl)benzene-1,3-dicarboxamide
CID 109051379
3-acetamido-N-[(3-bromophenyl)methyl]benzamide
CID 127116055
3-acetamido-N-[(2-fluorophenyl)methyl]benzamide
CID 8012881

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide (CID 110439900) is 3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide is CC(=O)Nc1cccc(C(=O)NCc2nc(C(C)C)cs2)c1.
What is the InChIKey of 3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is IIJBTGIXIBYDQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10(2)14-9-22-15(19-14)8-17-16(21)12-5-4-6-13(7-12)18-11(3)20/h4-7,9-10H,8H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide?
3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 317.41 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110439900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).