4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide

C18H24N4OS — CID 49487207

IUPAC4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NCCc3nccs3)CC2)c1C
InChIInChI=1S/C18H24N4OS/c1-14-4-3-5-16(15(14)2)21-9-11-22(12-10-21)18(23)20-7-6-17-19-8-13-24-17/h3-5,8,13H,6-7,9-12H2,1-2H3,(H,20,23)
InChIKeyZZFWJUYQLXSBIT-UHFFFAOYSA-N
MW344.48 g/mol
LogP2.83
Rot. Bonds4

About 4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide

4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide (PubChem CID 49487207) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is 4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
PubChem CID49487207
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)NCCc3nccs3)CC2)c1C
InChIInChI=1S/C18H24N4OS/c1-14-4-3-5-16(15(14)2)21-9-11-22(12-10-21)18(23)20-7-6-17-19-8-13-24-17/h3-5,8,13H,6-7,9-12H2,1-2H3,(H,20,23)
InChIKeyZZFWJUYQLXSBIT-UHFFFAOYSA-N
XLogP2.83
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 110388329
N-[2-(4-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891987
N-[2-(2-chlorophenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108900383
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
N-[2-(3,4-dimethylphenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 112974123
N-(cyclopropylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 25349553
N-[2-(4-chlorophenoxy)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 27532771
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-(2,3-dimethylphenyl)piperazine-1-carboxamide;hydrochloride
CID 108891424
N-(cyclopentylmethyl)-4-(2,3-dimethylphenyl)piperazine-1-carboxamide
CID 108902650
4-(2,3-dimethylphenyl)-N-thiophen-2-ylpiperazine-1-carboxamide;hydrochloride
CID 108889235
4-(2,3-dimethylphenyl)-N-[(4-methylphenoxy)methyl]piperazine-1-carboxamide;hydrochloride
CID 108893074
4-(2,3-dimethylphenyl)-N-(2-methylpyrazol-3-yl)piperazine-1-carboxamide;hydrochloride
CID 108813826

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide?
The IUPAC name of 4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide (CID 49487207) is 4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)NCCc3nccs3)CC2)c1C.
What is the InChIKey of 4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide?
The InChIKey is ZZFWJUYQLXSBIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14-4-3-5-16(15(14)2)21-9-11-22(12-10-21)18(23)20-7-6-17-19-8-13-24-17/h3-5,8,13H,6-7,9-12H2,1-2H3,(H,20,23).
What are the key properties of 4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide?
4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylphenyl)-N-[2-(1,3-thiazol-2-yl)ethyl]piperazine-1-carboxamide is sourced from PubChem (CID 49487207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).