3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

C13H15N5S2 — CID 71706057

IUPAC3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nc(C(C)C)c(-c2nn3c(C4CC4)nnc3s2)s1
InChIInChI=1S/C13H15N5S2/c1-6(2)9-10(19-7(3)14-9)12-17-18-11(8-4-5-8)15-16-13(18)20-12/h6,8H,4-5H2,1-3H3
InChIKeyVTINPAKKJKDMSW-UHFFFAOYSA-N
MW305.43 g/mol
LogP3.62
Rot. Bonds3

About 3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole

3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (PubChem CID 71706057) has the molecular formula C13H15N5S2 and a molecular weight of 305.43 g/mol. Its IUPAC name is 3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.

Molecular Properties

Compound Name3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
PubChem CID71706057
Molecular FormulaC13H15N5S2
Molecular Weight305.43 g/mol
Exact Mass305.08
IUPAC Name3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
SMILESCc1nc(C(C)C)c(-c2nn3c(C4CC4)nnc3s2)s1
InChIInChI=1S/C13H15N5S2/c1-6(2)9-10(19-7(3)14-9)12-17-18-11(8-4-5-8)15-16-13(18)20-12/h6,8H,4-5H2,1-3H3
InChIKeyVTINPAKKJKDMSW-UHFFFAOYSA-N
XLogP3.62
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclobutyl-6-(2,4-dimethyl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71709141
3-[(3,5-difluorophenyl)methyl]-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71708542
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-4,5-dimethylaniline
CID 114354248
1-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethanol
CID 114356350
2,4-dibromo-6-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)aniline
CID 114354445
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-fluoroaniline
CID 114354329
2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-fluoroaniline
CID 114354376
5-(3-cyclopentyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1H-1,2,4-triazol-3-amine
CID 114355459
4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-1-methylpyrazol-5-amine
CID 114354411
5-(3-cyclobutyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-3-methyl-1,2-oxazole
CID 71707625
3-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)butan-1-amine
CID 114354358
[4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]methanamine
CID 82048308

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The IUPAC name of 3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole (CID 71706057) is 3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole.
What is the SMILES notation for 3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The canonical SMILES for 3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is Cc1nc(C(C)C)c(-c2nn3c(C4CC4)nnc3s2)s1.
What is the InChIKey of 3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
The InChIKey is VTINPAKKJKDMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5S2/c1-6(2)9-10(19-7(3)14-9)12-17-18-11(8-4-5-8)15-16-13(18)20-12/h6,8H,4-5H2,1-3H3.
What are the key properties of 3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole?
3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole has a molecular weight of 305.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(2-methyl-4-propan-2-yl-1,3-thiazol-5-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole is sourced from PubChem (CID 71706057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).