3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

C19H15N3O2S2 — CID 6484074

IUPAC3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H15N3O2S2/c23-17(10-11-22-15-8-4-5-9-16(15)26-19(22)24)21-18-20-14(12-25-18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,21,23)
InChIKeyYCZLBDJKJCHJAA-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.22
Rot. Bonds5

About 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide

3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (PubChem CID 6484074) has the molecular formula C19H15N3O2S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
PubChem CID6484074
Molecular FormulaC19H15N3O2S2
Molecular Weight381.48 g/mol
Exact Mass381.06
IUPAC Name3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
SMILESO=C(CCn1c(=O)sc2ccccc21)Nc1nc(-c2ccccc2)cs1
InChIInChI=1S/C19H15N3O2S2/c23-17(10-11-22-15-8-4-5-9-16(15)26-19(22)24)21-18-20-14(12-25-18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,21,23)
InChIKeyYCZLBDJKJCHJAA-UHFFFAOYSA-N
XLogP4.22
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 7694168
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 6484292
4-oxo-4-[(4-phenyl-1,3-thiazol-2-yl)amino]butanoic acid
CID 804919
3-phenyl-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 840341
3-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 98423839
3-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 98208620
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenoxyphenyl)propanamide
CID 7455295
N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767780
N-(4-acetylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 3647299
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 16592789
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24555100
1,3-bis(4-phenyl-1,3-thiazol-2-yl)urea
CID 13089293

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide (CID 6484074) is 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is O=C(CCn1c(=O)sc2ccccc21)Nc1nc(-c2ccccc2)cs1.
What is the InChIKey of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is YCZLBDJKJCHJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S2/c23-17(10-11-22-15-8-4-5-9-16(15)26-19(22)24)21-18-20-14(12-25-18)13-6-2-1-3-7-13/h1-9,12H,10-11H2,(H,20,21,23).
What are the key properties of 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide?
3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 381.48 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 6484074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).