4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide

C15H17N3OS2 — CID 18152630

IUPAC4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)n1
InChIInChI=1S/C15H17N3OS2/c1-18-8-7-13(17-18)16-14(19)11-3-5-12(6-4-11)15-20-9-2-10-21-15/h3-8,15H,2,9-10H2,1H3,(H,16,17,19)
InChIKeyAWFVAQISRCHDDQ-UHFFFAOYSA-N
MW319.46 g/mol
LogP3.54
Rot. Bonds3

About 4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide

4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 18152630) has the molecular formula C15H17N3OS2 and a molecular weight of 319.46 g/mol. Its IUPAC name is 4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID18152630
Molecular FormulaC15H17N3OS2
Molecular Weight319.46 g/mol
Exact Mass319.08
IUPAC Name4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide
SMILESCn1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)n1
InChIInChI=1S/C15H17N3OS2/c1-18-8-7-13(17-18)16-14(19)11-3-5-12(6-4-11)15-20-9-2-10-21-15/h3-8,15H,2,9-10H2,1H3,(H,16,17,19)
InChIKeyAWFVAQISRCHDDQ-UHFFFAOYSA-N
XLogP3.54
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.46
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 4865337
4-(1,3-dithian-2-yl)-N-[4-(1-methylimidazole-2-carbonyl)phenyl]benzamide
CID 22830690
N-(1-tert-butylpyrazol-4-yl)-4-(1,3-dithian-2-yl)benzamide
CID 86860524
4-(difluoromethylsulfanyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 18152749
methyl 2-[[4-(1,3-dithian-2-yl)benzoyl]amino]-1,3-thiazole-5-carboxylate
CID 18103750
3-[[4-(1,3-dithian-2-yl)benzoyl]amino]-N-methylbenzamide
CID 18208547
N-(1-methylpyrazol-3-yl)-4-(phenylsulfamoyl)benzamide
CID 35799986
4-(1,3-dithian-2-yl)-N-[3-(4-fluorophenyl)-1,2,4-thiadiazol-5-yl]benzamide
CID 86942136
3-hydroxy-4-iodo-N-(1-methylpyrazol-3-yl)benzamide
CID 104627523
N-(1-methylpyrazol-3-yl)cyclopropanecarboxamide
CID 19405001
4-[(E)-methoxyiminomethyl]-N-(1-methylpyrazol-3-yl)benzamide
CID 134026280
N-(2,6-dimethylphenyl)-4-(1,3-dithiolan-2-yl)benzamide
CID 26894465

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide (CID 18152630) is 4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide is Cn1ccc(NC(=O)c2ccc(C3SCCCS3)cc2)n1.
What is the InChIKey of 4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is AWFVAQISRCHDDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS2/c1-18-8-7-13(17-18)16-14(19)11-3-5-12(6-4-11)15-20-9-2-10-21-15/h3-8,15H,2,9-10H2,1H3,(H,16,17,19).
What are the key properties of 4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide?
4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 319.46 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-yl)-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 18152630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).