N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide

C15H19N3OS — CID 42100024

IUPACN-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide
SMILESCc1cc(C)c2sc(NC(=O)C3CCCCC3)nc2n1
InChIInChI=1S/C15H19N3OS/c1-9-8-10(2)16-13-12(9)20-15(17-13)18-14(19)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,16,17,18,19)
InChIKeyKEJXWQVYELYAFB-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.83
Rot. Bonds2

About N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide

N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide (PubChem CID 42100024) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide
PubChem CID42100024
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide
SMILESCc1cc(C)c2sc(NC(=O)C3CCCCC3)nc2n1
InChIInChI=1S/C15H19N3OS/c1-9-8-10(2)16-13-12(9)20-15(17-13)18-14(19)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,16,17,18,19)
InChIKeyKEJXWQVYELYAFB-UHFFFAOYSA-N
XLogP3.83
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide?
The IUPAC name of N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide (CID 42100024) is N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide is Cc1cc(C)c2sc(NC(=O)C3CCCCC3)nc2n1.
What is the InChIKey of N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide?
The InChIKey is KEJXWQVYELYAFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-9-8-10(2)16-13-12(9)20-15(17-13)18-14(19)11-6-4-3-5-7-11/h8,11H,3-7H2,1-2H3,(H,16,17,18,19).
What are the key properties of N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide?
N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide has a molecular weight of 289.40 g/mol, XLogP of 3.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,7-dimethyl-[1,3]thiazolo[4,5-b]pyridin-2-yl)cyclohexanecarboxamide is sourced from PubChem (CID 42100024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).