N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

C15H19N3O2S2 — CID 74246698

IUPACN-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCSCc1nc(CNC(=O)c2ccc(C(C)C)[nH]c2=O)cs1
InChIInChI=1S/C15H19N3O2S2/c1-9(2)12-5-4-11(15(20)18-12)14(19)16-6-10-7-22-13(17-10)8-21-3/h4-5,7,9H,6,8H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyWBCTUXDKJQDGBC-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.75
Rot. Bonds6

About N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide

N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (PubChem CID 74246698) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
PubChem CID74246698
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC NameN-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
SMILESCSCc1nc(CNC(=O)c2ccc(C(C)C)[nH]c2=O)cs1
InChIInChI=1S/C15H19N3O2S2/c1-9(2)12-5-4-11(15(20)18-12)14(19)16-6-10-7-22-13(17-10)8-21-3/h4-5,7,9H,6,8H2,1-3H3,(H,16,19)(H,18,20)
InChIKeyWBCTUXDKJQDGBC-UHFFFAOYSA-N
XLogP2.75
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The IUPAC name of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide (CID 74246698) is N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is CSCc1nc(CNC(=O)c2ccc(C(C)C)[nH]c2=O)cs1.
What is the InChIKey of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
The InChIKey is WBCTUXDKJQDGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-9(2)12-5-4-11(15(20)18-12)14(19)16-6-10-7-22-13(17-10)8-21-3/h4-5,7,9H,6,8H2,1-3H3,(H,16,19)(H,18,20).
What are the key properties of N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide?
N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(methylsulfanylmethyl)-1,3-thiazol-4-yl]methyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide is sourced from PubChem (CID 74246698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).