4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine

C12H17N5S — CID 62711263

IUPAC4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nncn2C2CCCCC2)cs1
InChIInChI=1S/C12H17N5S/c13-12-15-9(7-18-12)6-11-16-14-8-17(11)10-4-2-1-3-5-10/h7-8,10H,1-6H2,(H2,13,15)
InChIKeyDQIIOAFJKAZEIP-UHFFFAOYSA-N
MW263.37 g/mol
LogP2.41
Rot. Bonds3

About 4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine

4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 62711263) has the molecular formula C12H17N5S and a molecular weight of 263.37 g/mol. Its IUPAC name is 4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID62711263
Molecular FormulaC12H17N5S
Molecular Weight263.37 g/mol
Exact Mass263.12
IUPAC Name4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESNc1nc(Cc2nncn2C2CCCCC2)cs1
InChIInChI=1S/C12H17N5S/c13-12-15-9(7-18-12)6-11-16-14-8-17(11)10-4-2-1-3-5-10/h7-8,10H,1-6H2,(H2,13,15)
InChIKeyDQIIOAFJKAZEIP-UHFFFAOYSA-N
XLogP2.41
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.37
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (CID 62711263) is 4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is Nc1nc(Cc2nncn2C2CCCCC2)cs1.
What is the InChIKey of 4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is DQIIOAFJKAZEIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5S/c13-12-15-9(7-18-12)6-11-16-14-8-17(11)10-4-2-1-3-5-10/h7-8,10H,1-6H2,(H2,13,15).
What are the key properties of 4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 263.37 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62711263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).