(2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide

C18H24N4OS — CID 56787681

IUPAC(2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1ncsc1CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C18H24N4OS/c1-14-11-21(12-16-6-4-3-5-7-16)8-9-22(14)18(23)19-10-17-15(2)20-13-24-17/h3-7,13-14H,8-12H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyHVZAPPGCEZYXIO-CQSZACIVSA-N
MW344.48 g/mol
LogP2.87
Rot. Bonds4

About (2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide

(2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide (PubChem CID 56787681) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name(2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide
PubChem CID56787681
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide
SMILESCc1ncsc1CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C
InChIInChI=1S/C18H24N4OS/c1-14-11-21(12-16-6-4-3-5-7-16)8-9-22(14)18(23)19-10-17-15(2)20-13-24-17/h3-7,13-14H,8-12H2,1-2H3,(H,19,23)/t14-/m1/s1
InChIKeyHVZAPPGCEZYXIO-CQSZACIVSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of (2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide (CID 56787681) is (2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for (2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for (2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide is Cc1ncsc1CNC(=O)N1CCN(Cc2ccccc2)C[C@H]1C.
What is the InChIKey of (2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide?
The InChIKey is HVZAPPGCEZYXIO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-14-11-21(12-16-6-4-3-5-7-16)8-9-22(14)18(23)19-10-17-15(2)20-13-24-17/h3-7,13-14H,8-12H2,1-2H3,(H,19,23)/t14-/m1/s1.
What are the key properties of (2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide?
(2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide has a molecular weight of 344.48 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-benzyl-2-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 56787681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).