N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C16H20N4OS — CID 778223

IUPACN,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C16H20N4OS/c1-18(2)16(21)20-10-8-19(9-11-20)15-17-14(12-22-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyJXIFZCAMPKFFMR-UHFFFAOYSA-N
MW316.43 g/mol
LogP2.61
Rot. Bonds2

About N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 778223) has the molecular formula C16H20N4OS and a molecular weight of 316.43 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID778223
Molecular FormulaC16H20N4OS
Molecular Weight316.43 g/mol
Exact Mass316.14
IUPAC NameN,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCN(C)C(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C16H20N4OS/c1-18(2)16(21)20-10-8-19(9-11-20)15-17-14(12-22-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3
InChIKeyJXIFZCAMPKFFMR-UHFFFAOYSA-N
XLogP2.61
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 778223) is N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is CN(C)C(=O)N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is JXIFZCAMPKFFMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4OS/c1-18(2)16(21)20-10-8-19(9-11-20)15-17-14(12-22-15)13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3.
What are the key properties of N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 778223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).