N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

C15H19N7S2 — CID 9483794

IUPACN-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1nnnc1CSc1nnc(Nc2cccc(C)c2C)s1
InChIInChI=1S/C15H19N7S2/c1-4-8-22-13(17-20-21-22)9-23-15-19-18-14(24-15)16-12-7-5-6-10(2)11(12)3/h5-7H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyQVIPRELUMXUWDE-UHFFFAOYSA-N
MW361.50 g/mol
LogP3.59
Rot. Bonds7

About N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (PubChem CID 9483794) has the molecular formula C15H19N7S2 and a molecular weight of 361.50 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
PubChem CID9483794
Molecular FormulaC15H19N7S2
Molecular Weight361.50 g/mol
Exact Mass361.11
IUPAC NameN-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
SMILESCCCn1nnnc1CSc1nnc(Nc2cccc(C)c2C)s1
InChIInChI=1S/C15H19N7S2/c1-4-8-22-13(17-20-21-22)9-23-15-19-18-14(24-15)16-12-7-5-6-10(2)11(12)3/h5-7H,4,8-9H2,1-3H3,(H,16,18)
InChIKeyQVIPRELUMXUWDE-UHFFFAOYSA-N
XLogP3.59
TPSA81.41 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.50
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-tert-butyl-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 18101373
5-[(1-propyltetrazol-5-yl)methylsulfanyl]-N-(2-thiophen-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 16576912
N-(2,3-dimethylphenyl)-5-(pyridin-2-ylmethylsulfanyl)-1,3,4-thiadiazol-2-amine
CID 41479375
N-(2,3-dimethylphenyl)-5-[(4-methoxyphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 16578352
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-methylacetamide
CID 2128697
5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 9199499
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-pentylacetamide
CID 9483825
5-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]pentanenitrile
CID 112779434
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(propylcarbamoyl)acetamide
CID 2583793
2-[[5-(2,3-dimethylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N,N-di(propan-2-yl)acetamide
CID 2699822
N-(2,3-dimethylphenyl)-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-thiadiazol-2-amine
CID 27914421
2-[(1-butyltetrazol-5-yl)methylsulfanyl]-5-methyl-1,3,4-thiadiazole
CID 47115102

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine (CID 9483794) is N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is CCCn1nnnc1CSc1nnc(Nc2cccc(C)c2C)s1.
What is the InChIKey of N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is QVIPRELUMXUWDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N7S2/c1-4-8-22-13(17-20-21-22)9-23-15-19-18-14(24-15)16-12-7-5-6-10(2)11(12)3/h5-7H,4,8-9H2,1-3H3,(H,16,18).
What are the key properties of N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine?
N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 361.50 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-5-[(1-propyltetrazol-5-yl)methylsulfanyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 9483794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).