4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine

C13H19N5S — CID 62721471

IUPAC4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1nc(C2CCCCC2)nc1Cc1csc(N)n1
InChIInChI=1S/C13H19N5S/c1-18-11(7-10-8-19-13(14)15-10)16-12(17-18)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H2,14,15)
InChIKeyNFJBRHUVFMDKAH-UHFFFAOYSA-N
MW277.40 g/mol
LogP2.49
Rot. Bonds3

About 4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine

4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (PubChem CID 62721471) has the molecular formula C13H19N5S and a molecular weight of 277.40 g/mol. Its IUPAC name is 4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
PubChem CID62721471
Molecular FormulaC13H19N5S
Molecular Weight277.40 g/mol
Exact Mass277.14
IUPAC Name4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
SMILESCn1nc(C2CCCCC2)nc1Cc1csc(N)n1
InChIInChI=1S/C13H19N5S/c1-18-11(7-10-8-19-13(14)15-10)16-12(17-18)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H2,14,15)
InChIKeyNFJBRHUVFMDKAH-UHFFFAOYSA-N
XLogP2.49
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.40
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

4-[(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 62721080
4-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine
CID 62711263
(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methanamine
CID 62720360
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)acetic acid
CID 62722916
4-[3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)propyl]-1,3-thiazol-2-amine
CID 80656600
2-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)thiophen-3-amine
CID 62721642
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methyl-1,3-thiazol-2-amine
CID 62794324
4-[[5-cyclopentyl-2-[2-(1H-imidazol-5-yl)ethyl]-1,2,4-triazol-3-yl]methyl]-2-methyl-1,3-thiazole
CID 72937395
2-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methoxy]acetic acid
CID 55111659
5-(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)-4-methylthiophen-2-amine
CID 55111608
2-(2-amino-1,3-thiazol-4-yl)-N-cyclohexyl-N-ethylacetamide
CID 62797286
4-[3-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)propyl]-1,3-thiazol-2-amine
CID 115825958

Frequently Asked Questions

What is the IUPAC name of 4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine (CID 62721471) is 4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is Cn1nc(C2CCCCC2)nc1Cc1csc(N)n1.
What is the InChIKey of 4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
The InChIKey is NFJBRHUVFMDKAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5S/c1-18-11(7-10-8-19-13(14)15-10)16-12(17-18)9-5-3-2-4-6-9/h8-9H,2-7H2,1H3,(H2,14,15).
What are the key properties of 4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine?
4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine has a molecular weight of 277.40 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-cyclohexyl-2-methyl-1,2,4-triazol-3-yl)methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 62721471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).