N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide

C15H21N5OS — CID 126813499

IUPACN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2nc(C3CCCCC3)cs2)nn1
InChIInChI=1S/C15H21N5OS/c1-20-9-12(18-19-20)15(21)16-8-7-14-17-13(10-22-14)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,16,21)
InChIKeyRXLNVFDVPLVJID-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide

N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide (PubChem CID 126813499) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide
PubChem CID126813499
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCCc2nc(C3CCCCC3)cs2)nn1
InChIInChI=1S/C15H21N5OS/c1-20-9-12(18-19-20)15(21)16-8-7-14-17-13(10-22-14)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,16,21)
InChIKeyRXLNVFDVPLVJID-UHFFFAOYSA-N
XLogP2.29
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide (CID 126813499) is N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NCCc2nc(C3CCCCC3)cs2)nn1.
What is the InChIKey of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is RXLNVFDVPLVJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-20-9-12(18-19-20)15(21)16-8-7-14-17-13(10-22-14)11-5-3-2-4-6-11/h9-11H,2-8H2,1H3,(H,16,21).
What are the key properties of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide?
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 126813499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).