N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide

C11H10N4OS2 — CID 693358

IUPACN-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
SMILESCc1nnc(NC(=S)NC(=O)c2ccccc2)s1
InChIInChI=1S/C11H10N4OS2/c1-7-14-15-11(18-7)13-10(17)12-9(16)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,15,16,17)
InChIKeyDPRGMRDPRUDAHR-UHFFFAOYSA-N
MW278.36 g/mol
LogP1.97
Rot. Bonds2

About N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide

N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide (PubChem CID 693358) has the molecular formula C11H10N4OS2 and a molecular weight of 278.36 g/mol. Its IUPAC name is N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
PubChem CID693358
Molecular FormulaC11H10N4OS2
Molecular Weight278.36 g/mol
Exact Mass278.03
IUPAC NameN-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
SMILESCc1nnc(NC(=S)NC(=O)c2ccccc2)s1
InChIInChI=1S/C11H10N4OS2/c1-7-14-15-11(18-7)13-10(17)12-9(16)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,15,16,17)
InChIKeyDPRGMRDPRUDAHR-UHFFFAOYSA-N
XLogP1.97
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2,3-diphenylprop-2-enamide
CID 890524
2-(benzoylcarbamothioylamino)-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 843956
4-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 676913
N-[(6-methyl-1,3-benzothiazol-2-yl)carbamothioyl]-4-phenylbenzamide
CID 2905350
N-[(5-nitro-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 126601215
4-fluoro-N-[(5-methyl-4-phenyl-1,3-thiazol-2-yl)carbamothioyl]benzamide
CID 164687705
N-(benzoylcarbamothioyl)benzamide;ethene
CID 157078951
methyl 3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]benzoate
CID 46493816
N-[(4-chloro-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 953877
4-tert-butyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide
CID 741024
N-[(5-bromo-1,3-benzothiazol-2-yl)carbamothioyl]benzamide
CID 46192848
2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylpropanamide
CID 47099211

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide?
The IUPAC name of N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide (CID 693358) is N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide?
The canonical SMILES for N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide is Cc1nnc(NC(=S)NC(=O)c2ccccc2)s1.
What is the InChIKey of N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide?
The InChIKey is DPRGMRDPRUDAHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS2/c1-7-14-15-11(18-7)13-10(17)12-9(16)8-5-3-2-4-6-8/h2-6H,1H3,(H2,12,13,15,16,17).
What are the key properties of N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide?
N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide has a molecular weight of 278.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide is sourced from PubChem (CID 693358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).