N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide

C18H16N2O2S — CID 110908880

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccccc1CO)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H16N2O2S/c21-12-15-9-5-4-8-14(15)10-19-17(22)16-11-20-18(23-16)13-6-2-1-3-7-13/h1-9,11,21H,10,12H2,(H,19,22)
InChIKeyGOISPBDVAKXMAH-UHFFFAOYSA-N
MW324.41 g/mol
LogP3.23
Rot. Bonds5

About N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide

N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide (PubChem CID 110908880) has the molecular formula C18H16N2O2S and a molecular weight of 324.41 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
PubChem CID110908880
Molecular FormulaC18H16N2O2S
Molecular Weight324.41 g/mol
Exact Mass324.09
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide
SMILESO=C(NCc1ccccc1CO)c1cnc(-c2ccccc2)s1
InChIInChI=1S/C18H16N2O2S/c21-12-15-9-5-4-8-14(15)10-19-17(22)16-11-20-18(23-16)13-6-2-1-3-7-13/h1-9,11,21H,10,12H2,(H,19,22)
InChIKeyGOISPBDVAKXMAH-UHFFFAOYSA-N
XLogP3.23
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.41
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dimethylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 55718847
N-benzyl-2-(4-methoxyphenyl)-1,3-thiazole-5-carboxamide
CID 117084347
N-[(4-carbamimidoylphenyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 24856375
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-4-carboxamide
CID 110902537
N-[2-(ethylamino)ethyl]-2-phenyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119509156
N-(2-amino-2-ethylbutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119643597
6-[(2-phenyl-1,3-thiazole-5-carbonyl)amino]hexanoic acid
CID 119219821
N-(3-aminobutyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 119499312
2-pyridin-3-yl-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 58236218
N-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 126781284
N-[3-[2-methoxyethyl(methyl)amino]propyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991474
N-[(3R,4R)-1-azabicyclo[2.2.1]heptan-3-yl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 59113572

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide (CID 110908880) is N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide is O=C(NCc1ccccc1CO)c1cnc(-c2ccccc2)s1.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
The InChIKey is GOISPBDVAKXMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2S/c21-12-15-9-5-4-8-14(15)10-19-17(22)16-11-20-18(23-16)13-6-2-1-3-7-13/h1-9,11,21H,10,12H2,(H,19,22).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide has a molecular weight of 324.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-2-phenyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110908880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).