N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide

C18H25N5OS — CID 139006619

IUPACN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(C2CC2)nn1)NCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C18H25N5OS/c24-17(11-23-10-15(21-22-23)14-6-7-14)19-9-8-18-20-16(12-25-18)13-4-2-1-3-5-13/h10,12-14H,1-9,11H2,(H,19,24)
InChIKeyFZXSEEQJGFEBEY-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.02
Rot. Bonds7

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

N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide (PubChem CID 139006619) has the molecular formula C18H25N5OS and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide
PubChem CID139006619
Molecular FormulaC18H25N5OS
Molecular Weight359.50 g/mol
Exact Mass359.18
IUPAC NameN-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(C2CC2)nn1)NCCc1nc(C2CCCCC2)cs1
InChIInChI=1S/C18H25N5OS/c24-17(11-23-10-15(21-22-23)14-6-7-14)19-9-8-18-20-16(12-25-18)13-4-2-1-3-5-13/h10,12-14H,1-9,11H2,(H,19,24)
InChIKeyFZXSEEQJGFEBEY-UHFFFAOYSA-N
XLogP3.02
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.02
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]-2-(4-cyclopropyltriazol-1-yl)acetamide?
The IUPAC name of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide (CID 139006619) is N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide?
The canonical SMILES for N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide is O=C(Cn1cc(C2CC2)nn1)NCCc1nc(C2CCCCC2)cs1.
What is the InChIKey of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide?
The InChIKey is FZXSEEQJGFEBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5OS/c24-17(11-23-10-15(21-22-23)14-6-7-14)19-9-8-18-20-16(12-25-18)13-4-2-1-3-5-13/h10,12-14H,1-9,11H2,(H,19,24).
What are the key properties of N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide?
N-[2-(4-cyclohexyl-1,3-thiazol-2-yl)ethyl]-2-(4-cyclopropyltriazol-1-yl)acetamide has a molecular weight of 359.50 g/mol, XLogP of 3.02, 7 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]-2-(4-cyclopropyltriazol-1-yl)acetamide is sourced from PubChem (CID 139006619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).