N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

C12H13N3OS — CID 110852596

IUPACN-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cncs1
InChIInChI=1S/C12H13N3OS/c1-15(12(16)11-8-14-9-17-11)7-4-10-2-5-13-6-3-10/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyPNXFRGSGVHEDIQ-UHFFFAOYSA-N
MW247.32 g/mol
LogP1.85
Rot. Bonds4

About N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide

N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (PubChem CID 110852596) has the molecular formula C12H13N3OS and a molecular weight of 247.32 g/mol. Its IUPAC name is N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
PubChem CID110852596
Molecular FormulaC12H13N3OS
Molecular Weight247.32 g/mol
Exact Mass247.08
IUPAC NameN-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cncs1
InChIInChI=1S/C12H13N3OS/c1-15(12(16)11-8-14-9-17-11)7-4-10-2-5-13-6-3-10/h2-3,5-6,8-9H,4,7H2,1H3
InChIKeyPNXFRGSGVHEDIQ-UHFFFAOYSA-N
XLogP1.85
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.32
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
N-methyl-2-pyridin-4-yl-N-(1,3-thiazol-5-ylmethyl)ethanamine
CID 86815162
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
1-N-butyl-1-N,4-N-dimethyl-4-N-(2-pyridin-4-ylethyl)benzene-1,4-dicarboxamide
CID 109048088
N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 110699109
N,1,3-trimethyl-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 110852590
3-[methyl(2-pyridin-4-ylethyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369258
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
N-methyl-N-(2-pyridin-4-ylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235639
N-methyl-6-phenyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 110683644
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N,2-dimethyl-2-(methylamino)-N-(2-pyridin-4-ylethyl)propanamide
CID 62847427

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide (CID 110852596) is N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is CN(CCc1ccncc1)C(=O)c1cncs1.
What is the InChIKey of N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PNXFRGSGVHEDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3OS/c1-15(12(16)11-8-14-9-17-11)7-4-10-2-5-13-6-3-10/h2-3,5-6,8-9H,4,7H2,1H3.
What are the key properties of N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide?
N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 247.32 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110852596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).