N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

C17H18N4O3S — CID 56503336

IUPACN-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)Nc1ccccc1-n1c(C)c[nH]c1=O
InChIInChI=1S/C17H18N4O3S/c1-11-9-18-16(23)21(11)14-6-4-3-5-13(14)19-15(22)7-8-20-12(2)10-25-17(20)24/h3-6,9-10H,7-8H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyNCHKYLBLPVNLKX-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.03
Rot. Bonds5

About N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide

N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (PubChem CID 56503336) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
PubChem CID56503336
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
SMILESCc1csc(=O)n1CCC(=O)Nc1ccccc1-n1c(C)c[nH]c1=O
InChIInChI=1S/C17H18N4O3S/c1-11-9-18-16(23)21(11)14-6-4-3-5-13(14)19-15(22)7-8-20-12(2)10-25-17(20)24/h3-6,9-10H,7-8H2,1-2H3,(H,18,23)(H,19,22)
InChIKeyNCHKYLBLPVNLKX-UHFFFAOYSA-N
XLogP2.03
TPSA88.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N',N'-diphenylpropanehydrazide
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3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-(2-phenylsulfanylethyl)propanamide
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N-(3,5-dimethylphenyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
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4-methyl-3-(3-oxo-3-phenylpropyl)-1,3-thiazol-2-one
CID 116691894
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[2-[2-(cyclopropylcarbamoyl)anilino]-2-oxoethyl] 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The IUPAC name of N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide (CID 56503336) is N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide.
What is the SMILES notation for N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The canonical SMILES for N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is Cc1csc(=O)n1CCC(=O)Nc1ccccc1-n1c(C)c[nH]c1=O.
What is the InChIKey of N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
The InChIKey is NCHKYLBLPVNLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-11-9-18-16(23)21(11)14-6-4-3-5-13(14)19-15(22)7-8-20-12(2)10-25-17(20)24/h3-6,9-10H,7-8H2,1-2H3,(H,18,23)(H,19,22).
What are the key properties of N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide?
N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide has a molecular weight of 358.42 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide is sourced from PubChem (CID 56503336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).