N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide

C16H24N6OS — CID 56888786

IUPACN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide
SMILESNc1nc(CCNC(=O)c2cn(CCC3CCCCC3)nn2)cs1
InChIInChI=1S/C16H24N6OS/c17-16-19-13(11-24-16)6-8-18-15(23)14-10-22(21-20-14)9-7-12-4-2-1-3-5-12/h10-12H,1-9H2,(H2,17,19)(H,18,23)
InChIKeyGUDCKOHSENRCMM-UHFFFAOYSA-N
MW348.48 g/mol
LogP2.26
Rot. Bonds7

About N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide

N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide (PubChem CID 56888786) has the molecular formula C16H24N6OS and a molecular weight of 348.48 g/mol. Its IUPAC name is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide
PubChem CID56888786
Molecular FormulaC16H24N6OS
Molecular Weight348.48 g/mol
Exact Mass348.17
IUPAC NameN-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide
SMILESNc1nc(CCNC(=O)c2cn(CCC3CCCCC3)nn2)cs1
InChIInChI=1S/C16H24N6OS/c17-16-19-13(11-24-16)6-8-18-15(23)14-10-22(21-20-14)9-7-12-4-2-1-3-5-12/h10-12H,1-9H2,(H2,17,19)(H,18,23)
InChIKeyGUDCKOHSENRCMM-UHFFFAOYSA-N
XLogP2.26
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide?
The IUPAC name of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide (CID 56888786) is N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide?
The canonical SMILES for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide is Nc1nc(CCNC(=O)c2cn(CCC3CCCCC3)nn2)cs1.
What is the InChIKey of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide?
The InChIKey is GUDCKOHSENRCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6OS/c17-16-19-13(11-24-16)6-8-18-15(23)14-10-22(21-20-14)9-7-12-4-2-1-3-5-12/h10-12H,1-9H2,(H2,17,19)(H,18,23).
What are the key properties of N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide?
N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide has a molecular weight of 348.48 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,3-thiazol-4-yl)ethyl]-1-(2-cyclohexylethyl)triazole-4-carboxamide is sourced from PubChem (CID 56888786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).