N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide

C15H17N3OS — CID 3715484

IUPACN-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)C1CCCCC1
InChIInChI=1S/C15H17N3OS/c19-14(11-6-2-1-3-7-11)18-15-17-13(10-20-15)12-8-4-5-9-16-12/h4-5,8-11H,1-3,6-7H2,(H,17,18,19)
InChIKeyYKPQFMSWBPQAGQ-UHFFFAOYSA-N
MW287.39 g/mol
LogP3.72
Rot. Bonds3

About N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide

N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide (PubChem CID 3715484) has the molecular formula C15H17N3OS and a molecular weight of 287.39 g/mol. Its IUPAC name is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide
PubChem CID3715484
Molecular FormulaC15H17N3OS
Molecular Weight287.39 g/mol
Exact Mass287.11
IUPAC NameN-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide
SMILESO=C(Nc1nc(-c2ccccn2)cs1)C1CCCCC1
InChIInChI=1S/C15H17N3OS/c19-14(11-6-2-1-3-7-11)18-15-17-13(10-20-15)12-8-4-5-9-16-12/h4-5,8-11H,1-3,6-7H2,(H,17,18,19)
InChIKeyYKPQFMSWBPQAGQ-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide (CID 3715484) is N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide is O=C(Nc1nc(-c2ccccn2)cs1)C1CCCCC1.
What is the InChIKey of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
The InChIKey is YKPQFMSWBPQAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3OS/c19-14(11-6-2-1-3-7-11)18-15-17-13(10-20-15)12-8-4-5-9-16-12/h4-5,8-11H,1-3,6-7H2,(H,17,18,19).
What are the key properties of N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide?
N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide has a molecular weight of 287.39 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyridin-2-yl-1,3-thiazol-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 3715484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).