N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

C13H10N6S2 — CID 108772214

IUPACN-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCc1nnc(Nc2nc3scc(-c4ccccc4)n3n2)s1
InChIInChI=1S/C13H10N6S2/c1-8-16-17-12(21-8)14-11-15-13-19(18-11)10(7-20-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,17,18)
InChIKeyDFOIZQRHOIEMNV-UHFFFAOYSA-N
MW314.40 g/mol
LogP3.36
Rot. Bonds3

About N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine

N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (PubChem CID 108772214) has the molecular formula C13H10N6S2 and a molecular weight of 314.40 g/mol. Its IUPAC name is N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.

Molecular Properties

Compound NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
PubChem CID108772214
Molecular FormulaC13H10N6S2
Molecular Weight314.40 g/mol
Exact Mass314.04
IUPAC NameN-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
SMILESCc1nnc(Nc2nc3scc(-c4ccccc4)n3n2)s1
InChIInChI=1S/C13H10N6S2/c1-8-16-17-12(21-8)14-11-15-13-19(18-11)10(7-20-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,17,18)
InChIKeyDFOIZQRHOIEMNV-UHFFFAOYSA-N
XLogP3.36
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 116829136
N-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772231
4-phenyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108751770
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzenesulfonamide
CID 108780564
N-(6-chloro-2-ethylpyrimidin-4-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine
CID 108772258
3-methyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-1-benzofuran-2-carboxamide
CID 108811403
3-chloro-2,2-dimethyl-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)propanamide
CID 108751761
ethyl 2-methyl-4-[(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)amino]pyrimidine-5-carboxylate
CID 108772217
4-methyl-3,5-dinitro-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)benzamide
CID 108727829
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)acetamide
CID 108811515
N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)butane-1-sulfonamide
CID 108780563
2-methylpropyl N-(6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)carbamate
CID 108727855

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The IUPAC name of N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine (CID 108772214) is N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine.
What is the SMILES notation for N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The canonical SMILES for N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is Cc1nnc(Nc2nc3scc(-c4ccccc4)n3n2)s1.
What is the InChIKey of N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
The InChIKey is DFOIZQRHOIEMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N6S2/c1-8-16-17-12(21-8)14-11-15-13-19(18-11)10(7-20-13)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,17,18).
What are the key properties of N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine?
N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine has a molecular weight of 314.40 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-phenyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-amine is sourced from PubChem (CID 108772214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).