N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C11H11N3OS — CID 3748085

IUPACN,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2ccccn2)nc1C
InChIInChI=1S/C11H11N3OS/c1-7-9(10(15)12-2)16-11(14-7)8-5-3-4-6-13-8/h3-6H,1-2H3,(H,12,15)
InChIKeyYBJVDLSAPDIFCY-UHFFFAOYSA-N
MW233.30 g/mol
LogP1.87
Rot. Bonds2

About N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 3748085) has the molecular formula C11H11N3OS and a molecular weight of 233.30 g/mol. Its IUPAC name is N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID3748085
Molecular FormulaC11H11N3OS
Molecular Weight233.30 g/mol
Exact Mass233.06
IUPAC NameN,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1sc(-c2ccccn2)nc1C
InChIInChI=1S/C11H11N3OS/c1-7-9(10(15)12-2)16-11(14-7)8-5-3-4-6-13-8/h3-6H,1-2H3,(H,12,15)
InChIKeyYBJVDLSAPDIFCY-UHFFFAOYSA-N
XLogP1.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 3748085) is N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is CNC(=O)c1sc(-c2ccccn2)nc1C.
What is the InChIKey of N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is YBJVDLSAPDIFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3OS/c1-7-9(10(15)12-2)16-11(14-7)8-5-3-4-6-13-8/h3-6H,1-2H3,(H,12,15).
What are the key properties of N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 233.30 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 3748085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).