N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide

C18H16N2O3S — CID 110393653

IUPACN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2nc(-c3ccc(O)cc3)cs2)c1
InChIInChI=1S/C18H16N2O3S/c1-23-15-4-2-3-13(9-15)18(22)19-10-17-20-16(11-24-17)12-5-7-14(21)8-6-12/h2-9,11,21H,10H2,1H3,(H,19,22)
InChIKeyBWPLPXINOVOFGZ-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.45
Rot. Bonds5

About N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide (PubChem CID 110393653) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
PubChem CID110393653
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC NameN-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NCc2nc(-c3ccc(O)cc3)cs2)c1
InChIInChI=1S/C18H16N2O3S/c1-23-15-4-2-3-13(9-15)18(22)19-10-17-20-16(11-24-17)12-5-7-14(21)8-6-12/h2-9,11,21H,10H2,1H3,(H,19,22)
InChIKeyBWPLPXINOVOFGZ-UHFFFAOYSA-N
XLogP3.45
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502
3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110318175
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663425
N-cyclopropyl-2-[[(3-methoxybenzoyl)amino]methyl]-1,3-thiazole-4-carboxamide
CID 24737491
3-cyano-N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]benzamide
CID 110393548
3-methoxy-N-[2-(4-pyridin-2-yl-1,3-thiazol-2-yl)ethyl]benzamide
CID 110317530
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
N-[2-[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]ethyl]-2,6-dimethoxybenzamide
CID 110393552
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]thiophene-2-carboxamide
CID 110393640
[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methylcarbamic acid
CID 146469372

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide?
The IUPAC name of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide (CID 110393653) is N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide.
What is the SMILES notation for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide?
The canonical SMILES for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide is COc1cccc(C(=O)NCc2nc(-c3ccc(O)cc3)cs2)c1.
What is the InChIKey of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide?
The InChIKey is BWPLPXINOVOFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-23-15-4-2-3-13(9-15)18(22)19-10-17-20-16(11-24-17)12-5-7-14(21)8-6-12/h2-9,11,21H,10H2,1H3,(H,19,22).
What are the key properties of N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide?
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide has a molecular weight of 340.40 g/mol, XLogP of 3.45, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide is sourced from PubChem (CID 110393653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).