4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole

C13H16N4S2 — CID 39965777

IUPAC4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CSc2nnc(C3CC3)n2C2CC2)cs1
InChIInChI=1S/C13H16N4S2/c1-8-14-10(6-18-8)7-19-13-16-15-12(9-2-3-9)17(13)11-4-5-11/h6,9,11H,2-5,7H2,1H3
InChIKeyQIQAVTVWXRKWIZ-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.55
Rot. Bonds5

About 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole

4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole (PubChem CID 39965777) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole
PubChem CID39965777
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole
SMILESCc1nc(CSc2nnc(C3CC3)n2C2CC2)cs1
InChIInChI=1S/C13H16N4S2/c1-8-14-10(6-18-8)7-19-13-16-15-12(9-2-3-9)17(13)11-4-5-11/h6,9,11H,2-5,7H2,1H3
InChIKeyQIQAVTVWXRKWIZ-UHFFFAOYSA-N
XLogP3.55
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole (CID 39965777) is 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole is Cc1nc(CSc2nnc(C3CC3)n2C2CC2)cs1.
What is the InChIKey of 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole?
The InChIKey is QIQAVTVWXRKWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-8-14-10(6-18-8)7-19-13-16-15-12(9-2-3-9)17(13)11-4-5-11/h6,9,11H,2-5,7H2,1H3.
What are the key properties of 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole?
4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole has a molecular weight of 292.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 39965777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).