N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide

C15H17N3O2S2 — CID 60530030

IUPACN-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)CSc1nccs1
InChIInChI=1S/C15H17N3O2S2/c1-10(2)17-14(20)11-5-3-4-6-12(11)18-13(19)9-22-15-16-7-8-21-15/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYCWCHXUBSHTTFT-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.01
Rot. Bonds6

About N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide

N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide (PubChem CID 60530030) has the molecular formula C15H17N3O2S2 and a molecular weight of 335.45 g/mol. Its IUPAC name is N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide
PubChem CID60530030
Molecular FormulaC15H17N3O2S2
Molecular Weight335.45 g/mol
Exact Mass335.08
IUPAC NameN-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide
SMILESCC(C)NC(=O)c1ccccc1NC(=O)CSc1nccs1
InChIInChI=1S/C15H17N3O2S2/c1-10(2)17-14(20)11-5-3-4-6-12(11)18-13(19)9-22-15-16-7-8-21-15/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYCWCHXUBSHTTFT-UHFFFAOYSA-N
XLogP3.01
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

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CID 36983613
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CID 55597378
2-[(2-imidazo[1,5-a]pyridin-3-ylsulfanylacetyl)amino]-N-propan-2-ylbenzamide
CID 36982823
N-propan-2-yl-2-[[2-[4-(trifluoromethyl)pyrimidin-2-yl]sulfanylacetyl]amino]benzamide
CID 36991749
methyl 3-oxo-3-[2-(propan-2-ylcarbamoyl)anilino]propanoate
CID 28638001
2-[[2-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-N-[(1R)-1-phenylethyl]benzamide
CID 2562636
2-[[2-[[5-(2-methylpropylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 46626813
2-(3-aminopropanoylamino)-N-propan-2-ylbenzamide
CID 119279299
ethyl N-[5-[2-oxo-2-[2-(1-phenylethylcarbamoyl)anilino]ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]carbamate
CID 55602504
N-(5-amino-2-methoxyphenyl)-2-(1,3-thiazol-2-ylsulfanyl)acetamide
CID 61218167
2-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
2-[[2-(2-nitrophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 3939264

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide?
The IUPAC name of N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide (CID 60530030) is N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide.
What is the SMILES notation for N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide?
The canonical SMILES for N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide is CC(C)NC(=O)c1ccccc1NC(=O)CSc1nccs1.
What is the InChIKey of N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide?
The InChIKey is YCWCHXUBSHTTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S2/c1-10(2)17-14(20)11-5-3-4-6-12(11)18-13(19)9-22-15-16-7-8-21-15/h3-8,10H,9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide?
N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide has a molecular weight of 335.45 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[[2-(1,3-thiazol-2-ylsulfanyl)acetyl]amino]benzamide is sourced from PubChem (CID 60530030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).