4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide

C22H24N4OS — CID 60551187

IUPAC4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2nc(-c3ccccc3)cs2)C(c2ccccc2)C1
InChIInChI=1S/C22H24N4OS/c1-25-12-13-26(20(15-25)18-10-6-3-7-11-18)22(27)23-14-21-24-19(16-28-21)17-8-4-2-5-9-17/h2-11,16,20H,12-15H2,1H3,(H,23,27)
InChIKeyUWRZDKYRMPRPMU-UHFFFAOYSA-N
MW392.53 g/mol
LogP4.01
Rot. Bonds4

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

4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (PubChem CID 60551187) has the molecular formula C22H24N4OS and a molecular weight of 392.53 g/mol. Its IUPAC name is 4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
PubChem CID60551187
Molecular FormulaC22H24N4OS
Molecular Weight392.53 g/mol
Exact Mass392.17
IUPAC Name4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
SMILESCN1CCN(C(=O)NCc2nc(-c3ccccc3)cs2)C(c2ccccc2)C1
InChIInChI=1S/C22H24N4OS/c1-25-12-13-26(20(15-25)18-10-6-3-7-11-18)22(27)23-14-21-24-19(16-28-21)17-8-4-2-5-9-17/h2-11,16,20H,12-15H2,1H3,(H,23,27)
InChIKeyUWRZDKYRMPRPMU-UHFFFAOYSA-N
XLogP4.01
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-hydroxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 110901412
(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 126436597
(3R)-3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 125138168
3-(5-methyl-1H-1,2,4-triazol-3-yl)-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidine-1-carboxamide
CID 119072353
(4-methyl-2-phenylpiperazin-1-yl)-(2-propyl-1,3-thiazol-4-yl)methanone
CID 72938463
4-methyl-2-phenyl-N-(2-pyrazol-1-ylethyl)piperazine-1-carboxamide
CID 127324357
4-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-phenylpiperazine-1-carboxamide
CID 136577422
2-methyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-2,3-dihydroindole-1-carboxamide
CID 60551252
(2R)-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-methyl-2-phenylpiperazine-1-carboxamide
CID 95126723
(5R)-3-methyl-2-oxo-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 126453114
1,3-dimethyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 115615393
(4-methyl-2-phenylpiperazin-1-yl)-(2-thiophen-3-yl-1,3-thiazol-4-yl)methanone
CID 51266752

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide (CID 60551187) is 4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is CN1CCN(C(=O)NCc2nc(-c3ccccc3)cs2)C(c2ccccc2)C1.
What is the InChIKey of 4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
The InChIKey is UWRZDKYRMPRPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4OS/c1-25-12-13-26(20(15-25)18-10-6-3-7-11-18)22(27)23-14-21-24-19(16-28-21)17-8-4-2-5-9-17/h2-11,16,20H,12-15H2,1H3,(H,23,27).
What are the key properties of 4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide?
4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 4.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-phenyl-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 60551187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).