N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C15H16N4O2S — CID 134161199

IUPACN-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C15H16N4O2S/c1-11-4-2-3-5-12(11)17-14(21)18-7-8-19(13(20)10-18)15-16-6-9-22-15/h2-6,9H,7-8,10H2,1H3,(H,17,21)
InChIKeyCEWCVJUOZGDESS-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.33
Rot. Bonds2

About N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 134161199) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID134161199
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC NameN-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCN(c2nccs2)C(=O)C1
InChIInChI=1S/C15H16N4O2S/c1-11-4-2-3-5-12(11)17-14(21)18-7-8-19(13(20)10-18)15-16-6-9-22-15/h2-6,9H,7-8,10H2,1H3,(H,17,21)
InChIKeyCEWCVJUOZGDESS-UHFFFAOYSA-N
XLogP2.33
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-4-(1,3-thiazol-2-yl)-N-thiophen-2-ylpiperazine-1-carboxamide
CID 134161663
4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134160705
4-[3-(2-bromophenyl)propanoyl]-1-(1,3-thiazol-2-yl)piperazin-2-one
CID 134161279
N-(2-methylphenyl)azepane-1-carboxamide
CID 19165583
1-(1,3-thiazol-2-yl)-4-[6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-2-one
CID 134160669
(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
CID 172646427
N-(4-aminophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 43468985
N-(5-methylthiophen-2-yl)-3-oxo-4-phenylpiperazine-1-carboxamide
CID 139004741
4-[(2-methylphenyl)carbamothioyl]-N-phenylpiperazine-1-carboxamide
CID 9240899
2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62310905
N-(2-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111145
N-(2,5-dichlorophenyl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 47031878

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 134161199) is N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is Cc1ccccc1NC(=O)N1CCN(c2nccs2)C(=O)C1.
What is the InChIKey of N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is CEWCVJUOZGDESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-11-4-2-3-5-12(11)17-14(21)18-7-8-19(13(20)10-18)15-16-6-9-22-15/h2-6,9H,7-8,10H2,1H3,(H,17,21).
What are the key properties of N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 316.39 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-3-oxo-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 134161199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).