2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide

C23H23FN2O3S — CID 126629314

IUPAC2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ncsc3CO)ccc2OCC2CC2)cc1F
InChIInChI=1S/C23H23FN2O3S/c1-14-2-3-16(8-19(14)24)10-25-23(28)18-9-17(22-21(11-27)30-13-26-22)6-7-20(18)29-12-15-4-5-15/h2-3,6-9,13,15,27H,4-5,10-12H2,1H3,(H,25,28)
InChIKeyQDYZHTBNPWYVSG-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.47
Rot. Bonds8

About 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide

2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide (PubChem CID 126629314) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide
PubChem CID126629314
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ncsc3CO)ccc2OCC2CC2)cc1F
InChIInChI=1S/C23H23FN2O3S/c1-14-2-3-16(8-19(14)24)10-25-23(28)18-9-17(22-21(11-27)30-13-26-22)6-7-20(18)29-12-15-4-5-15/h2-3,6-9,13,15,27H,4-5,10-12H2,1H3,(H,25,28)
InChIKeyQDYZHTBNPWYVSG-UHFFFAOYSA-N
XLogP4.47
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1H-pyrazol-5-yl]benzamide
CID 126629310
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-4-pyridinyl]benzamide
CID 126629287
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[4-(hydroxymethyl)-1-oxidopyridin-1-ium-3-yl]benzamide
CID 126629290
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[4-(hydroxymethyl)-1H-pyrazol-5-yl]benzamide
CID 118336186
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)thiophen-2-yl]pyridine-3-carboxamide
CID 126629309
2-(cyclopropylmethoxy)-N-[(2,3-difluoro-4-methylphenyl)methyl]-5-[3-(hydroxymethyl)-2-pyridinyl]benzamide
CID 126629419
2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-[(3-methylphenyl)methyl]benzamide
CID 126629412
[2-[4-(cyclopropylmethoxy)-3-[(3-fluoro-4-methoxyphenyl)methylcarbamoyl]phenyl]-3-pyridinyl]methyl 2-amino-2-methylpropanoate
CID 118336008
2-(cyclopropylmethoxy)-5-[3-(hydroxymethyl)-2-pyridinyl]-N-methylbenzamide
CID 144908491
2-(cyclopropylmethoxy)-5-[2-[(dimethylamino)methyl]phenyl]-N-[(3-fluoro-4-methylphenyl)methyl]pyridine-3-carboxamide
CID 126629343
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methoxyphenyl)methyl]-5-[2-(hydroxymethyl)-3-pyridinyl]pyridine-3-carboxamide
CID 118335951
N-[(3-fluoro-4-methylphenyl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 34485959

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide (CID 126629314) is 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide is Cc1ccc(CNC(=O)c2cc(-c3ncsc3CO)ccc2OCC2CC2)cc1F.
What is the InChIKey of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide?
The InChIKey is QDYZHTBNPWYVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-14-2-3-16(8-19(14)24)10-25-23(28)18-9-17(22-21(11-27)30-13-26-22)6-7-20(18)29-12-15-4-5-15/h2-3,6-9,13,15,27H,4-5,10-12H2,1H3,(H,25,28).
What are the key properties of 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide?
2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide has a molecular weight of 426.51 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethoxy)-N-[(3-fluoro-4-methylphenyl)methyl]-5-[5-(hydroxymethyl)-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 126629314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).