2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide

C14H17N3O3S2 — CID 146104224

IUPAC2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)Cc1ncc(C(=O)NS(=O)(=O)Cc2cccnc2)s1
InChIInChI=1S/C14H17N3O3S2/c1-10(2)6-13-16-8-12(21-13)14(18)17-22(19,20)9-11-4-3-5-15-7-11/h3-5,7-8,10H,6,9H2,1-2H3,(H,17,18)
InChIKeyIXJDTGVNAJROMF-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.00
Rot. Bonds6

About 2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide

2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide (PubChem CID 146104224) has the molecular formula C14H17N3O3S2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide
PubChem CID146104224
Molecular FormulaC14H17N3O3S2
Molecular Weight339.44 g/mol
Exact Mass339.07
IUPAC Name2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)Cc1ncc(C(=O)NS(=O)(=O)Cc2cccnc2)s1
InChIInChI=1S/C14H17N3O3S2/c1-10(2)6-13-16-8-12(21-13)14(18)17-22(19,20)9-11-4-3-5-15-7-11/h3-5,7-8,10H,6,9H2,1-2H3,(H,17,18)
InChIKeyIXJDTGVNAJROMF-UHFFFAOYSA-N
XLogP2.00
TPSA89.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-methylpropyl)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 166256543
2-(ethylamino)-1-(pyridin-3-ylmethylsulfonyl)pentan-3-one
CID 71154587
2-methyl-N-(pyridin-3-ylmethylsulfonyl)-2-(1,2-thiazol-5-yl)propanamide
CID 167793807
2,3,3-trimethyl-1-[2-(2-methylpropyl)-1,3-thiazol-5-yl]butan-1-one
CID 135075591
2-[(4-fluorophenyl)methyl]-N-[(1R)-1-pyridin-3-ylethyl]-1,3-thiazole-5-carboxamide
CID 95312976
2-amino-N-(pyridin-3-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171914
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
(2S)-2-(ethylsulfonylamino)-N-(pyridin-3-ylmethyl)propanamide
CID 110347921
pyridin-3-ylmethanesulfonyl chloride
CID 4658302
(2S)-3-phenyl-2-[(2-pyridin-3-yl-1,3-thiazole-5-carbonyl)amino]propanoic acid
CID 167982530
N-(4-acetamidophenyl)-2-(pyridin-3-ylmethylamino)-1,3-thiazole-5-carboxamide
CID 117085966
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 44995257

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide (CID 146104224) is 2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide is CC(C)Cc1ncc(C(=O)NS(=O)(=O)Cc2cccnc2)s1.
What is the InChIKey of 2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide?
The InChIKey is IXJDTGVNAJROMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S2/c1-10(2)6-13-16-8-12(21-13)14(18)17-22(19,20)9-11-4-3-5-15-7-11/h3-5,7-8,10H,6,9H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide?
2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-N-(pyridin-3-ylmethylsulfonyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 146104224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).