2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide

C16H20N2OS — CID 45154156

IUPAC2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1sc(Cc2ccccc2)nc1C
InChIInChI=1S/C16H20N2OS/c1-4-11(2)17-16(19)15-12(3)18-14(20-15)10-13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3,(H,17,19)
InChIKeyROGNJDANASOIEO-UHFFFAOYSA-N
MW288.42 g/mol
LogP3.57
Rot. Bonds5

About 2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide

2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 45154156) has the molecular formula C16H20N2OS and a molecular weight of 288.42 g/mol. Its IUPAC name is 2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID45154156
Molecular FormulaC16H20N2OS
Molecular Weight288.42 g/mol
Exact Mass288.13
IUPAC Name2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCC(C)NC(=O)c1sc(Cc2ccccc2)nc1C
InChIInChI=1S/C16H20N2OS/c1-4-11(2)17-16(19)15-12(3)18-14(20-15)10-13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3,(H,17,19)
InChIKeyROGNJDANASOIEO-UHFFFAOYSA-N
XLogP3.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.42
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 39084112
N-benzhydryl-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 39084136
(2S)-2-[(2-benzyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylpentanoic acid
CID 119361483
2-benzyl-4-methyl-N-(3-methylbutyl)-1,3-thiazole-5-carboxamide
CID 39084160
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110389706
2-benzyl-4-methyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 35261312
(2S,3S)-2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119194046
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
N-butan-2-yl-4-methyl-2-[(3-methylphenoxy)methyl]-1,3-thiazole-5-carboxamide
CID 23612943
N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119597606
2-benzyl-N-[(E)-benzylideneamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 39024482

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide (CID 45154156) is 2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide is CCC(C)NC(=O)c1sc(Cc2ccccc2)nc1C.
What is the InChIKey of 2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is ROGNJDANASOIEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2OS/c1-4-11(2)17-16(19)15-12(3)18-14(20-15)10-13-8-6-5-7-9-13/h5-9,11H,4,10H2,1-3H3,(H,17,19).
What are the key properties of 2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide?
2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 288.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 45154156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).