2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

C15H18N2OS — CID 37019052

IUPAC2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nc(C(C)C)cs2)c1C
InChIInChI=1S/C15H18N2OS/c1-9(2)13-8-19-15(16-13)17-14(18)12-7-5-6-10(3)11(12)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyUAWOVVXKEMETDH-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.14
Rot. Bonds3

About 2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide

2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 37019052) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID37019052
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCc1cccc(C(=O)Nc2nc(C(C)C)cs2)c1C
InChIInChI=1S/C15H18N2OS/c1-9(2)13-8-19-15(16-13)17-14(18)12-7-5-6-10(3)11(12)4/h5-9H,1-4H3,(H,16,17,18)
InChIKeyUAWOVVXKEMETDH-UHFFFAOYSA-N
XLogP4.14
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetyl-1,3-thiazol-2-yl)-2,3-dimethylbenzamide
CID 47143245
2-amino-3-fluoro-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 62661911
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2-fluoro-3-methylbenzamide
CID 81482142
N-(4-propan-2-yl-1,3-thiazol-2-yl)-2-(propylamino)benzamide
CID 62174910
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]-2,3-dihydroxybenzamide
CID 114343473
N-(4-propan-2-yl-1,3-thiazol-2-yl)-1H-indole-3-carboxamide
CID 60679000
N-(4-propan-2-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 46674310
N-[4-(1-aminoethyl)-1,3-thiazol-2-yl]naphthalene-1-carboxamide
CID 64558447
5-chloro-2-hydroxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18129996
2-chloro-N-(4-propan-2-yl-1,3-thiazol-2-yl)-5-sulfanylbenzamide
CID 107025323
3-methyl-4-(methylamino)-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 63213843
3-methoxy-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 18096314

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 37019052) is 2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is Cc1cccc(C(=O)Nc2nc(C(C)C)cs2)c1C.
What is the InChIKey of 2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is UAWOVVXKEMETDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-9(2)13-8-19-15(16-13)17-14(18)12-7-5-6-10(3)11(12)4/h5-9H,1-4H3,(H,16,17,18).
What are the key properties of 2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide?
2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 274.39 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-(4-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 37019052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).