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

C15H18N2OS — CID 39084112

IUPAC2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NC(C)C
InChIInChI=1S/C15H18N2OS/c1-10(2)16-15(18)14-11(3)17-13(19-14)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,16,18)
InChIKeyIERHXIRWHBXVQA-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.18
Rot. Bonds4

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

2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 39084112) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
PubChem CID39084112
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide
SMILESCc1nc(Cc2ccccc2)sc1C(=O)NC(C)C
InChIInChI=1S/C15H18N2OS/c1-10(2)16-15(18)14-11(3)17-13(19-14)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,16,18)
InChIKeyIERHXIRWHBXVQA-UHFFFAOYSA-N
XLogP3.18
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-N-butan-2-yl-4-methyl-1,3-thiazole-5-carboxamide
CID 45154156
4-methyl-2-(2-phenylethyl)-N-propan-2-yl-1,3-thiazole-5-carboxamide
CID 110389706
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-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]-1,3-thiazole-5-carboxamide
CID 35261312
2-benzyl-4-methyl-N-[4-(propanoylamino)phenyl]-1,3-thiazole-5-carboxamide
CID 55788388
ethyl 2-benzyl-4-methyl-1,3-thiazole-5-carboxylate
CID 7454215
N-(1-amino-2,4-dimethylpentan-2-yl)-2-benzyl-4-methyl-1,3-thiazole-5-carboxamide
CID 119597606
(2S,3S)-2-[[2-[(4-fluorophenyl)methyl]-4-methyl-1,3-thiazole-5-carbonyl]amino]-3-methylpentanoic acid
CID 119194046
2-benzyl-4-methyl-N'-(2-naphthalen-2-yloxypropanoyl)-1,3-thiazole-5-carbohydrazide
CID 55650629
2-benzyl-4-methyl-N-(2-propan-2-yloxy-3-pyridinyl)-1,3-thiazole-5-carboxamide
CID 91641589

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide (CID 39084112) is 2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is Cc1nc(Cc2ccccc2)sc1C(=O)NC(C)C.
What is the InChIKey of 2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is IERHXIRWHBXVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10(2)16-15(18)14-11(3)17-13(19-14)9-12-7-5-4-6-8-12/h4-8,10H,9H2,1-3H3,(H,16,18).
What are the key properties of 2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide?
2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 274.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4-methyl-N-propan-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 39084112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).