N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide

C14H14N4OS3 — CID 121083329

IUPACN-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1nc2c(SC)cccc2s1
InChIInChI=1S/C14H14N4OS3/c1-3-5-8-12(22-18-17-8)13(19)16-14-15-11-9(20-2)6-4-7-10(11)21-14/h4,6-7H,3,5H2,1-2H3,(H,15,16,19)
InChIKeyBEDAZIAKOYSARV-UHFFFAOYSA-N
MW350.49 g/mol
LogP4.07
Rot. Bonds5

About N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide

N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide (PubChem CID 121083329) has the molecular formula C14H14N4OS3 and a molecular weight of 350.49 g/mol. Its IUPAC name is N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide
PubChem CID121083329
Molecular FormulaC14H14N4OS3
Molecular Weight350.49 g/mol
Exact Mass350.03
IUPAC NameN-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide
SMILESCCCc1nnsc1C(=O)Nc1nc2c(SC)cccc2s1
InChIInChI=1S/C14H14N4OS3/c1-3-5-8-12(22-18-17-8)13(19)16-14-15-11-9(20-2)6-4-7-10(11)21-14/h4,6-7H,3,5H2,1-2H3,(H,15,16,19)
InChIKeyBEDAZIAKOYSARV-UHFFFAOYSA-N
XLogP4.07
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(4-methylsulfanyl-1,3-benzothiazol-2-yl)piperazin-1-yl]-(4-propylthiadiazol-5-yl)methanone
CID 121083355
2,6-difluoro-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615215
1-(2,6-difluorophenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121082734
3-methyl-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615162
2-bromo-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615172
3,4-dimethoxy-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)benzamide
CID 7615185
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-ylsulfanylbenzamide
CID 41147781
2-(4-methoxyphenyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)acetamide
CID 8719256
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propan-2-yloxybenzamide
CID 7615219
1-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-phenylpropyl)urea
CID 121081224
4-ethyl-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]thiadiazole-5-carboxamide
CID 134059873
1-(3,5-dimethylphenyl)-3-(4-methylsulfanyl-1,3-benzothiazol-2-yl)urea
CID 121081214

Frequently Asked Questions

What is the IUPAC name of N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide?
The IUPAC name of N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide (CID 121083329) is N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide.
What is the SMILES notation for N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide?
The canonical SMILES for N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide is CCCc1nnsc1C(=O)Nc1nc2c(SC)cccc2s1.
What is the InChIKey of N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide?
The InChIKey is BEDAZIAKOYSARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS3/c1-3-5-8-12(22-18-17-8)13(19)16-14-15-11-9(20-2)6-4-7-10(11)21-14/h4,6-7H,3,5H2,1-2H3,(H,15,16,19).
What are the key properties of N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide?
N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide has a molecular weight of 350.49 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-4-propylthiadiazole-5-carboxamide is sourced from PubChem (CID 121083329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).