N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide

C20H15N3O2S2 — CID 86979350

IUPACN-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1OCc1cscn1
InChIInChI=1S/C20H15N3O2S2/c24-19(23-20-21-10-18(27-20)14-6-2-1-3-7-14)16-8-4-5-9-17(16)25-11-15-12-26-13-22-15/h1-10,12-13H,11H2,(H,21,23,24)
InChIKeyGYTWWDYYACONSA-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.10
Rot. Bonds6

About N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide

N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 86979350) has the molecular formula C20H15N3O2S2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID86979350
Molecular FormulaC20H15N3O2S2
Molecular Weight393.49 g/mol
Exact Mass393.06
IUPAC NameN-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESO=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1OCc1cscn1
InChIInChI=1S/C20H15N3O2S2/c24-19(23-20-21-10-18(27-20)14-6-2-1-3-7-14)16-8-4-5-9-17(16)25-11-15-12-26-13-22-15/h1-10,12-13H,11H2,(H,21,23,24)
InChIKeyGYTWWDYYACONSA-UHFFFAOYSA-N
XLogP5.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907852
N-(4-fluorophenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86907828
N-[4-(2-methoxyethoxy)phenyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86981514
N'-(2-methylpropanoyl)-2-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 78823301
(2S)-3-phenyl-N-(5-pyridin-4-yl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethylamino)propanamide
CID 87918344
N-(5-phenyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 22474590
N-(4-ethoxy-3-methoxyphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 78816507
N-[2-(2,6-difluorophenyl)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87006938
2-nitro-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 47028167
N-[2-(N-methylanilino)ethyl]-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86911822
N-(3-morpholin-4-ylphenyl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87042478
N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide
CID 87004703

Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide (CID 86979350) is N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide is O=C(Nc1ncc(-c2ccccc2)s1)c1ccccc1OCc1cscn1.
What is the InChIKey of N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is GYTWWDYYACONSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N3O2S2/c24-19(23-20-21-10-18(27-20)14-6-2-1-3-7-14)16-8-4-5-9-17(16)25-11-15-12-26-13-22-15/h1-10,12-13H,11H2,(H,21,23,24).
What are the key properties of N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 393.49 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-1,3-thiazol-2-yl)-2-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 86979350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).