5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide

C17H20N2O3S — CID 90795701

IUPAC5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(-c2sc(C(N)=O)nc2C(C)C)c1C
InChIInChI=1S/C17H20N2O3S/c1-8(2)14-15(23-17(19-14)16(18)21)13-9(3)12(22-5)7-6-11(13)10(4)20/h6-8H,1-5H3,(H2,18,21)
InChIKeyDZJHCTHOWVULCW-UHFFFAOYSA-N
MW332.43 g/mol
LogP3.55
Rot. Bonds5

About 5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide

5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (PubChem CID 90795701) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
PubChem CID90795701
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide
SMILESCOc1ccc(C(C)=O)c(-c2sc(C(N)=O)nc2C(C)C)c1C
InChIInChI=1S/C17H20N2O3S/c1-8(2)14-15(23-17(19-14)16(18)21)13-9(3)12(22-5)7-6-11(13)10(4)20/h6-8H,1-5H3,(H2,18,21)
InChIKeyDZJHCTHOWVULCW-UHFFFAOYSA-N
XLogP3.55
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[(3-Methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]-2-methylbenzamide
CID 137647647
N-(6-Acetyl-3-methoxy-2-methylphenyl)-4-(propan-2-yl)-1,3-thiazole-2-carboxamide
CID 53482122
6-methoxy-5-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one
CID 58212954
N-(diaminomethylidene)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-2-methyl-2H-chromene-6-carboxamide
CID 58407474
5-(2-Methoxyphenyl)-2-methyl-1,3-thiazole-4-carboxamide
CID 67311191
2-(6-Acetyl-3-methoxy-2-methylphenyl)-1-(4-propan-2-yl-1,3-thiazol-2-yl)ethanone
CID 68402291
6-methoxy-5-methyl-3-(4-methyl-1,3-thiazol-2-yl)-2H-isoquinolin-1-one
CID 70956011
5-(6-Acetyl-2-chloro-3-methoxyphenyl)-4-cyclopropyl-1,3-thiazole-2-carboxamide
CID 91054593
2-methoxy-1,8-dimethyl-7-(4-propan-2-yl-1,3-thiazol-2-yl)-7,8,9,10-tetrahydro-6H-benzo[8]annulen-5-one
CID 123348314
N-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide;ethane
CID 143401301
2-[2-[(5-Acetyl-2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-5-yl]acetamide
CID 45863122
2-(5-acetyl-2-methoxyphenyl)-N-[2-(2,4-dimethyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 72020650

Frequently Asked Questions

What is the IUPAC name of 5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The IUPAC name of 5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide (CID 90795701) is 5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The canonical SMILES for 5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is COc1ccc(C(C)=O)c(-c2sc(C(N)=O)nc2C(C)C)c1C.
What is the InChIKey of 5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
The InChIKey is DZJHCTHOWVULCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3S/c1-8(2)14-15(23-17(19-14)16(18)21)13-9(3)12(22-5)7-6-11(13)10(4)20/h6-8H,1-5H3,(H2,18,21).
What are the key properties of 5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide?
5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-acetyl-3-methoxy-2-methylphenyl)-4-propan-2-yl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 90795701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).