N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide

C19H19N3O2S — CID 166225827

IUPACN-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(CCc3ccccc3)n2)cn(C)c1=O
InChIInChI=1S/C19H19N3O2S/c1-13-10-15(11-22(2)19(13)24)20-18(23)16-12-25-17(21-16)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)
InChIKeyNKRYOVXCBRHKFB-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.19
Rot. Bonds5

About N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide

N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide (PubChem CID 166225827) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
PubChem CID166225827
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
SMILESCc1cc(NC(=O)c2csc(CCc3ccccc3)n2)cn(C)c1=O
InChIInChI=1S/C19H19N3O2S/c1-13-10-15(11-22(2)19(13)24)20-18(23)16-12-25-17(21-16)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,20,23)
InChIKeyNKRYOVXCBRHKFB-UHFFFAOYSA-N
XLogP3.19
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide (CID 166225827) is N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide is Cc1cc(NC(=O)c2csc(CCc3ccccc3)n2)cn(C)c1=O.
What is the InChIKey of N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is NKRYOVXCBRHKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c1-13-10-15(11-22(2)19(13)24)20-18(23)16-12-25-17(21-16)9-8-14-6-4-3-5-7-14/h3-7,10-12H,8-9H2,1-2H3,(H,20,23).
What are the key properties of N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide?
N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-6-oxo-3-pyridinyl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 166225827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).