2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone

C22H23N3OS — CID 134132260

IUPAC2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1nc(-c2ccccc2)c(-c2ccccc2)s1)N1CCCCC1
InChIInChI=1S/C22H23N3OS/c26-19(25-14-8-3-9-15-25)16-23-22-24-20(17-10-4-1-5-11-17)21(27-22)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2,(H,23,24)
InChIKeyKMTOAENGJJALMQ-UHFFFAOYSA-N
MW377.51 g/mol
LogP4.90
Rot. Bonds5

About 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone

2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone (PubChem CID 134132260) has the molecular formula C22H23N3OS and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone
PubChem CID134132260
Molecular FormulaC22H23N3OS
Molecular Weight377.51 g/mol
Exact Mass377.16
IUPAC Name2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone
SMILESO=C(CNc1nc(-c2ccccc2)c(-c2ccccc2)s1)N1CCCCC1
InChIInChI=1S/C22H23N3OS/c26-19(25-14-8-3-9-15-25)16-23-22-24-20(17-10-4-1-5-11-17)21(27-22)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2,(H,23,24)
InChIKeyKMTOAENGJJALMQ-UHFFFAOYSA-N
XLogP4.90
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone (CID 134132260) is 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone is O=C(CNc1nc(-c2ccccc2)c(-c2ccccc2)s1)N1CCCCC1.
What is the InChIKey of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone?
The InChIKey is KMTOAENGJJALMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3OS/c26-19(25-14-8-3-9-15-25)16-23-22-24-20(17-10-4-1-5-11-17)21(27-22)18-12-6-2-7-13-18/h1-2,4-7,10-13H,3,8-9,14-16H2,(H,23,24).
What are the key properties of 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone?
2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone has a molecular weight of 377.51 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-diphenyl-1,3-thiazol-2-yl)amino]-1-piperidin-1-ylethanone is sourced from PubChem (CID 134132260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).