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

C8H10N4S2 — CID 18707661

IUPAC2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCCc1ncn(Sc2nc(C)cs2)n1
InChIInChI=1S/C8H10N4S2/c1-3-7-9-5-12(11-7)14-8-10-6(2)4-13-8/h4-5H,3H2,1-2H3
InChIKeyJWXVZGYZQVPEKS-UHFFFAOYSA-N
MW226.33 g/mol
LogP2.16
Rot. Bonds3

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

2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole (PubChem CID 18707661) has the molecular formula C8H10N4S2 and a molecular weight of 226.33 g/mol. Its IUPAC name is 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole
PubChem CID18707661
Molecular FormulaC8H10N4S2
Molecular Weight226.33 g/mol
Exact Mass226.03
IUPAC Name2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole
SMILESCCc1ncn(Sc2nc(C)cs2)n1
InChIInChI=1S/C8H10N4S2/c1-3-7-9-5-12(11-7)14-8-10-6(2)4-13-8/h4-5H,3H2,1-2H3
InChIKeyJWXVZGYZQVPEKS-UHFFFAOYSA-N
XLogP2.16
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole?
The IUPAC name of 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole (CID 18707661) is 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole.
What is the SMILES notation for 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole?
The canonical SMILES for 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole is CCc1ncn(Sc2nc(C)cs2)n1.
What is the InChIKey of 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole?
The InChIKey is JWXVZGYZQVPEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4S2/c1-3-7-9-5-12(11-7)14-8-10-6(2)4-13-8/h4-5H,3H2,1-2H3.
What are the key properties of 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole?
2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole has a molecular weight of 226.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethyl-1,2,4-triazol-1-yl)sulfanyl]-4-methyl-1,3-thiazole is sourced from PubChem (CID 18707661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).