N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide

C13H13N3OS2 — CID 18189556

IUPACN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C13H13N3OS2/c1-18-10-6-4-8(5-7-10)11(17)14-13-16-15-12(19-13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,14,16,17)
InChIKeyFGYAPMDBMJERDY-UHFFFAOYSA-N
MW291.40 g/mol
LogP3.39
Rot. Bonds4

About N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide (PubChem CID 18189556) has the molecular formula C13H13N3OS2 and a molecular weight of 291.40 g/mol. Its IUPAC name is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
PubChem CID18189556
Molecular FormulaC13H13N3OS2
Molecular Weight291.40 g/mol
Exact Mass291.05
IUPAC NameN-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide
SMILESCSc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1
InChIInChI=1S/C13H13N3OS2/c1-18-10-6-4-8(5-7-10)11(17)14-13-16-15-12(19-13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,14,16,17)
InChIKeyFGYAPMDBMJERDY-UHFFFAOYSA-N
XLogP3.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(carbamoylamino)-N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)benzamide
CID 78770285
N-(5-cyclohexyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzamide
CID 803244
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-(tetrazol-1-yl)benzamide
CID 29411630
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-6-(dimethylamino)pyridine-3-carboxamide
CID 78859395
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-pentoxybenzamide
CID 4501787
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-1,3-benzodioxole-5-carboxamide
CID 735968
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3,4-dipropoxybenzamide
CID 29411913
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-fluoro-2-[(4-methoxybenzoyl)amino]benzamide
CID 86881719
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,6-dimethoxybenzamide
CID 13239341
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 24647580
4-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]benzamide
CID 39040742
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-2,4-difluorobenzamide
CID 3926032

Frequently Asked Questions

What is the IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide?
The IUPAC name of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide (CID 18189556) is N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide.
What is the SMILES notation for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide?
The canonical SMILES for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide is CSc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1.
What is the InChIKey of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide?
The InChIKey is FGYAPMDBMJERDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3OS2/c1-18-10-6-4-8(5-7-10)11(17)14-13-16-15-12(19-13)9-2-3-9/h4-7,9H,2-3H2,1H3,(H,14,16,17).
What are the key properties of N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide?
N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide has a molecular weight of 291.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-4-methylsulfanylbenzamide is sourced from PubChem (CID 18189556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).