4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

C15H18N6S — CID 90930571

IUPAC4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCn1nccc1-c1nc(C2CCCCC2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C15H18N6S/c1-21-11(7-8-18-21)15-19-12(10-5-3-2-4-6-10)13(22-15)14-16-9-17-20-14/h7-10H,2-6H2,1H3,(H,16,17,20)
InChIKeyJNTSRVZGJKSKEE-UHFFFAOYSA-N
MW314.42 g/mol
LogP3.38
Rot. Bonds3

About 4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole

4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (PubChem CID 90930571) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is 4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.

Molecular Properties

Compound Name4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
PubChem CID90930571
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC Name4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole
SMILESCn1nccc1-c1nc(C2CCCCC2)c(-c2ncn[nH]2)s1
InChIInChI=1S/C15H18N6S/c1-21-11(7-8-18-21)15-19-12(10-5-3-2-4-6-10)13(22-15)14-16-9-17-20-14/h7-10H,2-6H2,1H3,(H,16,17,20)
InChIKeyJNTSRVZGJKSKEE-UHFFFAOYSA-N
XLogP3.38
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The IUPAC name of 4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole (CID 90930571) is 4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole.
What is the SMILES notation for 4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The canonical SMILES for 4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is Cn1nccc1-c1nc(C2CCCCC2)c(-c2ncn[nH]2)s1.
What is the InChIKey of 4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
The InChIKey is JNTSRVZGJKSKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-21-11(7-8-18-21)15-19-12(10-5-3-2-4-6-10)13(22-15)14-16-9-17-20-14/h7-10H,2-6H2,1H3,(H,16,17,20).
What are the key properties of 4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole?
4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole has a molecular weight of 314.42 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-(2-methylpyrazol-3-yl)-5-(1H-1,2,4-triazol-5-yl)-1,3-thiazole is sourced from PubChem (CID 90930571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).