1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide

C12H15N3OS — CID 60584383

IUPAC1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1(C#N)CCCCC1)c1nccs1
InChIInChI=1S/C12H15N3OS/c1-15(11-14-7-8-17-11)10(16)12(9-13)5-3-2-4-6-12/h7-8H,2-6H2,1H3
InChIKeyUXITZZYIGGIVTD-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.58
Rot. Bonds2

About 1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide

1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide (PubChem CID 60584383) has the molecular formula C12H15N3OS and a molecular weight of 249.34 g/mol. Its IUPAC name is 1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
PubChem CID60584383
Molecular FormulaC12H15N3OS
Molecular Weight249.34 g/mol
Exact Mass249.09
IUPAC Name1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide
SMILESCN(C(=O)C1(C#N)CCCCC1)c1nccs1
InChIInChI=1S/C12H15N3OS/c1-15(11-14-7-8-17-11)10(16)12(9-13)5-3-2-4-6-12/h7-8H,2-6H2,1H3
InChIKeyUXITZZYIGGIVTD-UHFFFAOYSA-N
XLogP2.58
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The IUPAC name of 1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide (CID 60584383) is 1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide is CN(C(=O)C1(C#N)CCCCC1)c1nccs1.
What is the InChIKey of 1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
The InChIKey is UXITZZYIGGIVTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS/c1-15(11-14-7-8-17-11)10(16)12(9-13)5-3-2-4-6-12/h7-8H,2-6H2,1H3.
What are the key properties of 1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide?
1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide has a molecular weight of 249.34 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-methyl-N-(1,3-thiazol-2-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 60584383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).