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

C21H19N5O2S — CID 68780060

IUPACN-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1noc2ccccc12)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C21H19N5O2S/c27-20(23-19-16-8-4-5-9-18(16)28-24-19)25-10-12-26(13-11-25)21-22-17(14-29-21)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27)
InChIKeyBGKTYQGEJCHARP-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.31
Rot. Bonds3

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

N-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 68780060) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is N-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID68780060
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC NameN-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(Nc1noc2ccccc12)N1CCN(c2nc(-c3ccccc3)cs2)CC1
InChIInChI=1S/C21H19N5O2S/c27-20(23-19-16-8-4-5-9-18(16)28-24-19)25-10-12-26(13-11-25)21-22-17(14-29-21)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27)
InChIKeyBGKTYQGEJCHARP-UHFFFAOYSA-N
XLogP4.31
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 68780060) is N-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(Nc1noc2ccccc12)N1CCN(c2nc(-c3ccccc3)cs2)CC1.
What is the InChIKey of N-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is BGKTYQGEJCHARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c27-20(23-19-16-8-4-5-9-18(16)28-24-19)25-10-12-26(13-11-25)21-22-17(14-29-21)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,23,24,27).
What are the key properties of N-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 4.31, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-benzoxazol-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 68780060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).