3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide

C18H17N3O3S — CID 110318175

IUPAC3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C18H17N3O3S/c1-23-14-7-13(8-15(9-14)24-2)18(22)20-10-17-21-16(11-25-17)12-3-5-19-6-4-12/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyOZRPGBCYMHMFNS-UHFFFAOYSA-N
MW355.42 g/mol
LogP3.15
Rot. Bonds6

About 3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide

3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide (PubChem CID 110318175) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
PubChem CID110318175
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC Name3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)NCc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C18H17N3O3S/c1-23-14-7-13(8-15(9-14)24-2)18(22)20-10-17-21-16(11-25-17)12-3-5-19-6-4-12/h3-9,11H,10H2,1-2H3,(H,20,22)
InChIKeyOZRPGBCYMHMFNS-UHFFFAOYSA-N
XLogP3.15
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110393653
3,4-dimethoxy-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 71691502
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-3-methoxybenzamide
CID 110351799
3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 56585528
tert-butyl N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoyl]phenyl]carbamate
CID 56585717
2,4-dimethoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663365
4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
CID 86804654
4-[2-(3-methoxyanilino)-2-oxoethoxy]-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]benzamide
CID 55663425
N-(4-methoxyphenyl)-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propanamide
CID 110650248
3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728064
2-methoxy-2-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 56785329

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide (CID 110318175) is 3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide is COc1cc(OC)cc(C(=O)NCc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide?
The InChIKey is OZRPGBCYMHMFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-23-14-7-13(8-15(9-14)24-2)18(22)20-10-17-21-16(11-25-17)12-3-5-19-6-4-12/h3-9,11H,10H2,1-2H3,(H,20,22).
What are the key properties of 3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide?
3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide has a molecular weight of 355.42 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110318175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).