2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C20H22N4OS2 — CID 120998549

IUPAC2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ncc(C2CCNCC2)s1)c1csc(CCc2ccccc2)n1
InChIInChI=1S/C20H22N4OS2/c25-19(24-20-22-12-17(27-20)15-8-10-21-11-9-15)16-13-26-18(23-16)7-6-14-4-2-1-3-5-14/h1-5,12-13,15,21H,6-11H2,(H,22,24,25)
InChIKeyFAAINCKHSZFDOP-UHFFFAOYSA-N
MW398.56 g/mol
LogP4.10
Rot. Bonds6

About 2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 120998549) has the molecular formula C20H22N4OS2 and a molecular weight of 398.56 g/mol. Its IUPAC name is 2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID120998549
Molecular FormulaC20H22N4OS2
Molecular Weight398.56 g/mol
Exact Mass398.12
IUPAC Name2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ncc(C2CCNCC2)s1)c1csc(CCc2ccccc2)n1
InChIInChI=1S/C20H22N4OS2/c25-19(24-20-22-12-17(27-20)15-8-10-21-11-9-15)16-13-26-18(23-16)7-6-14-4-2-1-3-5-14/h1-5,12-13,15,21H,6-11H2,(H,22,24,25)
InChIKeyFAAINCKHSZFDOP-UHFFFAOYSA-N
XLogP4.10
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.56
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

2-(furan-3-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 120998447
N-[2-oxo-2-[(5-piperidin-4-yl-1,3-thiazol-2-yl)amino]ethyl]pyridine-2-carboxamide
CID 120998369
5-cyclopropyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-2-carboxamide;hydrochloride
CID 120998626
6-methyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 120998297
2,6-dimethyl-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)pyridine-3-carboxamide;hydrochloride
CID 120998258
2-(2-ethyl-1,3-thiazol-4-yl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998421
N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 120998349
2-benzyl-5-piperidin-4-yl-1,3-thiazole
CID 18187536
N-(1-methylpiperidin-4-yl)-2-(2-phenylethyl)-1,3-thiazole-4-carboxamide
CID 56783188
2-(2-fluorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide;hydrochloride
CID 120998344
5-(2-chlorophenyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-oxazole-4-carboxamide;hydrochloride
CID 120998124
2-(methylamino)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)acetamide
CID 120998569

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 120998549) is 2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ncc(C2CCNCC2)s1)c1csc(CCc2ccccc2)n1.
What is the InChIKey of 2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is FAAINCKHSZFDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4OS2/c25-19(24-20-22-12-17(27-20)15-8-10-21-11-9-15)16-13-26-18(23-16)7-6-14-4-2-1-3-5-14/h1-5,12-13,15,21H,6-11H2,(H,22,24,25).
What are the key properties of 2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 398.56 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-N-(5-piperidin-4-yl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 120998549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).