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

C20H26N4OS — CID 1447362

IUPACN-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C20H26N4OS/c25-19(21-17-9-5-2-6-10-17)23-11-13-24(14-12-23)20-22-18(15-26-20)16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,21,25)
InChIKeyXEHZGYNIGPCKHJ-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.97
Rot. Bonds3

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

N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 1447362) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID1447362
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC NameN-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NC1CCCCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C20H26N4OS/c25-19(21-17-9-5-2-6-10-17)23-11-13-24(14-12-23)20-22-18(15-26-20)16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,21,25)
InChIKeyXEHZGYNIGPCKHJ-UHFFFAOYSA-N
XLogP3.97
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 1447362) is N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(NC1CCCCC1)N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is XEHZGYNIGPCKHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c25-19(21-17-9-5-2-6-10-17)23-11-13-24(14-12-23)20-22-18(15-26-20)16-7-3-1-4-8-16/h1,3-4,7-8,15,17H,2,5-6,9-14H2,(H,21,25).
What are the key properties of N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 370.52 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 1447362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).