N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

C20H17N3O2S2 — CID 7694168

IUPACN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCn3c(=O)sc4ccccc43)n2)cc1
InChIInChI=1S/C20H17N3O2S2/c1-13-6-8-14(9-7-13)15-12-26-19(21-15)22-18(24)10-11-23-16-4-2-3-5-17(16)27-20(23)25/h2-9,12H,10-11H2,1H3,(H,21,22,24)
InChIKeyCMJGYDFXIAOKTN-UHFFFAOYSA-N
MW395.51 g/mol
LogP4.52
Rot. Bonds5

About N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide

N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (PubChem CID 7694168) has the molecular formula C20H17N3O2S2 and a molecular weight of 395.51 g/mol. Its IUPAC name is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
PubChem CID7694168
Molecular FormulaC20H17N3O2S2
Molecular Weight395.51 g/mol
Exact Mass395.08
IUPAC NameN-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
SMILESCc1ccc(-c2csc(NC(=O)CCn3c(=O)sc4ccccc43)n2)cc1
InChIInChI=1S/C20H17N3O2S2/c1-13-6-8-14(9-7-13)15-12-26-19(21-15)22-18(24)10-11-23-16-4-2-3-5-17(16)27-20(23)25/h2-9,12H,10-11H2,1H3,(H,21,22,24)
InChIKeyCMJGYDFXIAOKTN-UHFFFAOYSA-N
XLogP4.52
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-oxo-1,3-benzothiazol-3-yl)-N-(4-phenyl-1,3-thiazol-2-yl)propanamide
CID 6484074
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 6484292
2-(2-methylindol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 4050178
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(4,6,8-trimethyl-2-oxoquinolin-1-yl)propanamide
CID 39765036
N-[5-[3-(4-methylanilino)-3-oxopropyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 17308314
3-(3,4-dimethyl-6-oxo-1-phenylpyrazolo[5,4-b]pyridin-7-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 46306801
3-(3,5-dimethylpyrazol-1-yl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]propanamide
CID 30747923
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-4-oxo-4-thiophen-2-ylbutanamide
CID 2474406
N-(3,4-dimethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767815
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 24555100
N-(2-ethylphenyl)-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide
CID 767780
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]hexadecanamide
CID 4161318

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The IUPAC name of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide (CID 7694168) is N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide.
What is the SMILES notation for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The canonical SMILES for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is Cc1ccc(-c2csc(NC(=O)CCn3c(=O)sc4ccccc43)n2)cc1.
What is the InChIKey of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
The InChIKey is CMJGYDFXIAOKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S2/c1-13-6-8-14(9-7-13)15-12-26-19(21-15)22-18(24)10-11-23-16-4-2-3-5-17(16)27-20(23)25/h2-9,12H,10-11H2,1H3,(H,21,22,24).
What are the key properties of N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide?
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide has a molecular weight of 395.51 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-(2-oxo-1,3-benzothiazol-3-yl)propanamide is sourced from PubChem (CID 7694168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).