2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide

C22H22N2O2S — CID 75378409

IUPAC2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(CCC(O)c2ccccc2)cc1)c1cnc(C2CC2)s1
InChIInChI=1S/C22H22N2O2S/c25-19(16-4-2-1-3-5-16)13-8-15-6-11-18(12-7-15)24-21(26)20-14-23-22(27-20)17-9-10-17/h1-7,11-12,14,17,19,25H,8-10,13H2,(H,24,26)
InChIKeyPIZXZZKJYLBSGY-UHFFFAOYSA-N
MW378.50 g/mol
LogP4.94
Rot. Bonds7

About 2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide

2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide (PubChem CID 75378409) has the molecular formula C22H22N2O2S and a molecular weight of 378.50 g/mol. Its IUPAC name is 2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide
PubChem CID75378409
Molecular FormulaC22H22N2O2S
Molecular Weight378.50 g/mol
Exact Mass378.14
IUPAC Name2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide
SMILESO=C(Nc1ccc(CCC(O)c2ccccc2)cc1)c1cnc(C2CC2)s1
InChIInChI=1S/C22H22N2O2S/c25-19(16-4-2-1-3-5-16)13-8-15-6-11-18(12-7-15)24-21(26)20-14-23-22(27-20)17-9-10-17/h1-7,11-12,14,17,19,25H,8-10,13H2,(H,24,26)
InChIKeyPIZXZZKJYLBSGY-UHFFFAOYSA-N
XLogP4.94
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-morpholin-2-ylphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 67239122
US10508107, Example 6
CID 124566252
2-(1-aminoethyl)-N-[3-(hydroxymethyl)-5-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 57538004
2-(3-aminophenyl)-N-[2-(4-hydroxyphenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 117087501
2-[2-(2-fluorophenyl)-1,3-thiazol-5-yl]-N-[4-(2-hydroxyethyl)phenyl]acetamide
CID 42569825
2-(2-fluorophenyl)-N-[2-(3-fluorophenyl)-2-hydroxyethyl]-1,3-thiazole-5-carboxamide
CID 56136376
N-[2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 71885594
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991418
N-[(2R)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 95034111
N-[(2S)-2-(3,4-difluorophenyl)-2-hydroxyethyl]-2-(2-fluorophenyl)-1,3-thiazole-5-carboxamide
CID 95216632
2-[(4-fluorophenyl)methyl]-N-[3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 109891998
2-[(4-fluorophenyl)methyl]-N-[4-(hydroxymethyl)-3-pyridinyl]-1,3-thiazole-5-carboxamide
CID 109909580

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide (CID 75378409) is 2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide is O=C(Nc1ccc(CCC(O)c2ccccc2)cc1)c1cnc(C2CC2)s1.
What is the InChIKey of 2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide?
The InChIKey is PIZXZZKJYLBSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2S/c25-19(16-4-2-1-3-5-16)13-8-15-6-11-18(12-7-15)24-21(26)20-14-23-22(27-20)17-9-10-17/h1-7,11-12,14,17,19,25H,8-10,13H2,(H,24,26).
What are the key properties of 2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide?
2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[4-(3-hydroxy-3-phenylpropyl)phenyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 75378409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).