2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole

C10H14N4S2 — CID 18707570

IUPAC2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sn2cnc(C(C)(C)C)n2)n1
InChIInChI=1S/C10H14N4S2/c1-7-5-15-9(12-7)16-14-6-11-8(13-14)10(2,3)4/h5-6H,1-4H3
InChIKeyDRVKBGSHIQYQIO-UHFFFAOYSA-N
MW254.38 g/mol
LogP2.90
Rot. Bonds2

About 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole

2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole (PubChem CID 18707570) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole
PubChem CID18707570
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCc1csc(Sn2cnc(C(C)(C)C)n2)n1
InChIInChI=1S/C10H14N4S2/c1-7-5-15-9(12-7)16-14-6-11-8(13-14)10(2,3)4/h5-6H,1-4H3
InChIKeyDRVKBGSHIQYQIO-UHFFFAOYSA-N
XLogP2.90
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole (CID 18707570) is 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole is Cc1csc(Sn2cnc(C(C)(C)C)n2)n1.
What is the InChIKey of 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is DRVKBGSHIQYQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-7-5-15-9(12-7)16-14-6-11-8(13-14)10(2,3)4/h5-6H,1-4H3.
What are the key properties of 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole?
2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole has a molecular weight of 254.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 18707570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).