3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

C12H13N3O2S — CID 7534964

IUPAC3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C12H13N3O2S/c1-8(16)14-10-4-2-3-9(7-10)11(17)15-12-13-5-6-18-12/h2-4,7H,5-6H2,1H3,(H,14,16)(H,13,15,17)
InChIKeyYBBUCCDZLJODQK-UHFFFAOYSA-N
MW263.32 g/mol
LogP1.48
Rot. Bonds2

About 3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide

3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (PubChem CID 7534964) has the molecular formula C12H13N3O2S and a molecular weight of 263.32 g/mol. Its IUPAC name is 3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
PubChem CID7534964
Molecular FormulaC12H13N3O2S
Molecular Weight263.32 g/mol
Exact Mass263.07
IUPAC Name3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide
SMILESCC(=O)Nc1cccc(C(=O)NC2=NCCS2)c1
InChIInChI=1S/C12H13N3O2S/c1-8(16)14-10-4-2-3-9(7-10)11(17)15-12-13-5-6-18-12/h2-4,7H,5-6H2,1H3,(H,14,16)(H,13,15,17)
InChIKeyYBBUCCDZLJODQK-UHFFFAOYSA-N
XLogP1.48
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057668
1-[3-(4,5-dihydro-1,3-thiazol-2-ylamino)phenyl]ethanone;hydrochloride
CID 67730537
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-(tetrazol-1-yl)benzamide
CID 862161
N-(4,5-dihydro-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 4513583
N-(4,5-dihydro-1,3-thiazol-2-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 51098490
N-(5,6-dihydro-4H-1,3-thiazin-2-yl)benzamide
CID 102046322
3-acetamido-N-(3-fluorophenyl)benzamide
CID 2443243
3-acetamido-N-(3,5-difluorophenyl)benzamide
CID 17427227
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide
CID 47289091
3-chloro-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-ethoxybenzamide
CID 960169
3-acetamido-N-[4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]benzamide
CID 82240480

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide (CID 7534964) is 3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is CC(=O)Nc1cccc(C(=O)NC2=NCCS2)c1.
What is the InChIKey of 3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
The InChIKey is YBBUCCDZLJODQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2S/c1-8(16)14-10-4-2-3-9(7-10)11(17)15-12-13-5-6-18-12/h2-4,7H,5-6H2,1H3,(H,14,16)(H,13,15,17).
What are the key properties of 3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide?
3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide has a molecular weight of 263.32 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(4,5-dihydro-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 7534964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).