N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide

C21H20N2O2S — CID 59765235

IUPACN-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ncc(C(O)Cc2ccccc2)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C21H20N2O2S/c24-17(13-15-7-3-1-4-8-15)18-14-22-20(26-18)23-19(25)21(11-12-21)16-9-5-2-6-10-16/h1-10,14,17,24H,11-13H2,(H,22,23,25)
InChIKeyKJQHPFJXKFOEJS-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.09
Rot. Bonds6

About N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide

N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 59765235) has the molecular formula C21H20N2O2S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID59765235
Molecular FormulaC21H20N2O2S
Molecular Weight364.47 g/mol
Exact Mass364.12
IUPAC NameN-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ncc(C(O)Cc2ccccc2)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C21H20N2O2S/c24-17(13-15-7-3-1-4-8-15)18-14-22-20(26-18)23-19(25)21(11-12-21)16-9-5-2-6-10-16/h1-10,14,17,24H,11-13H2,(H,22,23,25)
InChIKeyKJQHPFJXKFOEJS-UHFFFAOYSA-N
XLogP4.09
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzodioxol-5-yl)-N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 59765220
1-phenyl-N-[5-(1-phenylethyl)-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 59765206
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1-phenylcyclopropane-1-carboxamide
CID 29456239
N-[5-[(R)-dimethylamino(phenyl)methyl]-1,3-thiazol-2-yl]-1-(3,4-dimethylphenyl)cyclopropane-1-carboxamide
CID 59757109
1-(1,3-benzodioxol-5-yl)-N-[5-[dimethylamino(phenyl)methyl]-1,3-thiazol-2-yl]cyclopropane-1-carboxamide
CID 58609952
N-(5-methyl-1,3,4-thiadiazol-2-yl)-1-phenylcyclobutane-1-carboxamide
CID 32620190
1-phenyl-N-pyridin-3-ylcyclobutane-1-carboxamide
CID 31809591
(2R)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
CID 122050622
1-(4-bromophenyl)-N-(5-methyl-1,3-thiazol-2-yl)cyclopropane-1-carboxamide
CID 33284025
(2S)-3-phenyl-2-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]propanoic acid
CID 122049518
N-(5-benzyl-1,3,4-thiadiazol-2-yl)-4-phenyloxane-4-carboxamide
CID 56829316
N-[5-[(2-methoxyphenyl)methyl]-1,3-thiazol-2-yl]-1-(4-methylphenyl)cyclopropane-1-carboxamide
CID 11581668

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide (CID 59765235) is N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide is O=C(Nc1ncc(C(O)Cc2ccccc2)s1)C1(c2ccccc2)CC1.
What is the InChIKey of N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is KJQHPFJXKFOEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2S/c24-17(13-15-7-3-1-4-8-15)18-14-22-20(26-18)23-19(25)21(11-12-21)16-9-5-2-6-10-16/h1-10,14,17,24H,11-13H2,(H,22,23,25).
What are the key properties of N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide?
N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hydroxy-2-phenylethyl)-1,3-thiazol-2-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 59765235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).