N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide

C20H27N3OS — CID 146514852

IUPACN-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1cc(-c2cnc(C(C)(C)C)s2)ccn1
InChIInChI=1S/C20H27N3OS/c1-20(2,3)19-22-13-16(25-19)15-10-11-21-17(12-15)23(4)18(24)14-8-6-5-7-9-14/h10-14H,5-9H2,1-4H3
InChIKeyOWCWBHFKHVCVAV-UHFFFAOYSA-N
MW357.52 g/mol
LogP5.05
Rot. Bonds3

About N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide

N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide (PubChem CID 146514852) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide.

Molecular Properties

Compound NameN-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide
PubChem CID146514852
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC NameN-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide
SMILESCN(C(=O)C1CCCCC1)c1cc(-c2cnc(C(C)(C)C)s2)ccn1
InChIInChI=1S/C20H27N3OS/c1-20(2,3)19-22-13-16(25-19)15-10-11-21-17(12-15)23(4)18(24)14-8-6-5-7-9-14/h10-14H,5-9H2,1-4H3
InChIKeyOWCWBHFKHVCVAV-UHFFFAOYSA-N
XLogP5.05
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.52
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide?
The IUPAC name of N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide (CID 146514852) is N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide.
What is the SMILES notation for N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide?
The canonical SMILES for N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide is CN(C(=O)C1CCCCC1)c1cc(-c2cnc(C(C)(C)C)s2)ccn1.
What is the InChIKey of N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide?
The InChIKey is OWCWBHFKHVCVAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-20(2,3)19-22-13-16(25-19)15-10-11-21-17(12-15)23(4)18(24)14-8-6-5-7-9-14/h10-14H,5-9H2,1-4H3.
What are the key properties of N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide?
N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide has a molecular weight of 357.52 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-tert-butyl-1,3-thiazol-5-yl)-2-pyridinyl]-N-methylcyclohexanecarboxamide is sourced from PubChem (CID 146514852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).