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

C10H12N4S2 — CID 86790568

IUPAC2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
SMILESCn1ncnc1SCc1csc(C2CC2)n1
InChIInChI=1S/C10H12N4S2/c1-14-10(11-6-12-14)16-5-8-4-15-9(13-8)7-2-3-7/h4,6-7H,2-3,5H2,1H3
InChIKeyZOFVXRXHEQEOHT-UHFFFAOYSA-N
MW252.37 g/mol
LogP2.44
Rot. Bonds4

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

2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole (PubChem CID 86790568) has the molecular formula C10H12N4S2 and a molecular weight of 252.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
PubChem CID86790568
Molecular FormulaC10H12N4S2
Molecular Weight252.37 g/mol
Exact Mass252.05
IUPAC Name2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole
SMILESCn1ncnc1SCc1csc(C2CC2)n1
InChIInChI=1S/C10H12N4S2/c1-14-10(11-6-12-14)16-5-8-4-15-9(13-8)7-2-3-7/h4,6-7H,2-3,5H2,1H3
InChIKeyZOFVXRXHEQEOHT-UHFFFAOYSA-N
XLogP2.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole?
The IUPAC name of 2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole (CID 86790568) is 2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole.
What is the SMILES notation for 2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole?
The canonical SMILES for 2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole is Cn1ncnc1SCc1csc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole?
The InChIKey is ZOFVXRXHEQEOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4S2/c1-14-10(11-6-12-14)16-5-8-4-15-9(13-8)7-2-3-7/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole?
2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole has a molecular weight of 252.37 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,3-thiazole is sourced from PubChem (CID 86790568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).