N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide

C15H17N3OS — CID 83407453

IUPACN-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H17N3OS/c19-14(17-11-6-2-1-3-7-11)15-18-13(10-20-15)12-8-4-5-9-16-12/h4-5,8-11H,1-3,6-7H2,(H,17,19)
InChIKeyWJYSFGADVSVSLD-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.27
Rot. Bonds3

About N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide

N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 83407453) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide
PubChem CID83407453
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide
SMILESO=C(NC1CCCCC1)c1nc(-c2ccccn2)cs1
InChIInChI=1S/C15H17N3OS/c19-14(17-11-6-2-1-3-7-11)15-18-13(10-20-15)12-8-4-5-9-16-12/h4-5,8-11H,1-3,6-7H2,(H,17,19)
InChIKeyWJYSFGADVSVSLD-UHFFFAOYSA-N
XLogP3.27
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide (CID 83407453) is N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide is O=C(NC1CCCCC1)c1nc(-c2ccccn2)cs1.
What is the InChIKey of N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is WJYSFGADVSVSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14(17-11-6-2-1-3-7-11)15-18-13(10-20-15)12-8-4-5-9-16-12/h4-5,8-11H,1-3,6-7H2,(H,17,19).
What are the key properties of N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide?
N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-pyridin-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 83407453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).