N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C17H18N4OS3 — CID 36859277

IUPACN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCCCCc1nnc(NC(=O)c2ccccc2SCc2cscn2)s1
InChIInChI=1S/C17H18N4OS3/c1-2-3-8-15-20-21-17(25-15)19-16(22)13-6-4-5-7-14(13)24-10-12-9-23-11-18-12/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,21,22)
InChIKeyOQKFHJOFSXQYQT-UHFFFAOYSA-N
MW390.56 g/mol
LogP4.88
Rot. Bonds8

About N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 36859277) has the molecular formula C17H18N4OS3 and a molecular weight of 390.56 g/mol. Its IUPAC name is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID36859277
Molecular FormulaC17H18N4OS3
Molecular Weight390.56 g/mol
Exact Mass390.06
IUPAC NameN-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESCCCCc1nnc(NC(=O)c2ccccc2SCc2cscn2)s1
InChIInChI=1S/C17H18N4OS3/c1-2-3-8-15-20-21-17(25-15)19-16(22)13-6-4-5-7-14(13)24-10-12-9-23-11-18-12/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,21,22)
InChIKeyOQKFHJOFSXQYQT-UHFFFAOYSA-N
XLogP4.88
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.56
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylsulfanyl]-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide
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2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 55432910
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 34114329
N-(5-butyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 19224251
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanylbenzamide
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N-pyridin-3-yl-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
CID 30887149
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-methoxybenzamide
CID 40535473
2-ethylsulfanyl-N-[5-(phenylsulfanylmethyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 17321459
N-(5-hexyl-1,3,4-thiadiazol-2-yl)-2-iodobenzamide
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N-(5-fluoro-2-methylphenyl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 36859277) is N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is CCCCc1nnc(NC(=O)c2ccccc2SCc2cscn2)s1.
What is the InChIKey of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is OQKFHJOFSXQYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS3/c1-2-3-8-15-20-21-17(25-15)19-16(22)13-6-4-5-7-14(13)24-10-12-9-23-11-18-12/h4-7,9,11H,2-3,8,10H2,1H3,(H,19,21,22).
What are the key properties of N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 390.56 g/mol, XLogP of 4.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 36859277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).