N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide

C15H15N3O2S2 — CID 110678670

IUPACN-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)CCc3csc(C)n3)sc2c1
InChIInChI=1S/C15H15N3O2S2/c1-9-16-10(8-21-9)3-6-14(19)18-15-17-12-5-4-11(20-2)7-13(12)22-15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyMZXDJXYJSARJQO-UHFFFAOYSA-N
MW333.44 g/mol
LogP3.64
Rot. Bonds5

About N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide

N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide (PubChem CID 110678670) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide.

Molecular Properties

Compound NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
PubChem CID110678670
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide
SMILESCOc1ccc2nc(NC(=O)CCc3csc(C)n3)sc2c1
InChIInChI=1S/C15H15N3O2S2/c1-9-16-10(8-21-9)3-6-14(19)18-15-17-12-5-4-11(20-2)7-13(12)22-15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19)
InChIKeyMZXDJXYJSARJQO-UHFFFAOYSA-N
XLogP3.64
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dimethyl-1,3-thiazol-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 110678933
6-methoxy-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazol-2-amine
CID 79518208
N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 718596
3-(4-ethoxyphenyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 19226041
3-(4,6-dimethyl-2-methylsulfanylpyrimidin-5-yl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 46684094
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-phenylpentanamide
CID 108807550
N-(6-methoxy-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-oxazol-4-yl)acetamide
CID 110686464
N-(6-methoxy-1,3-benzothiazol-2-yl)-5-oxo-5-thiophen-2-ylpentanamide
CID 24666179
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-pyrrol-1-ylpropanamide
CID 3237471
3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 26707945
3-(benzenesulfonyl)-N-(6-methoxy-1,3-benzothiazol-2-yl)propanamide
CID 6484634
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7545140

Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The IUPAC name of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide (CID 110678670) is N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide.
What is the SMILES notation for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The canonical SMILES for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide is COc1ccc2nc(NC(=O)CCc3csc(C)n3)sc2c1.
What is the InChIKey of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
The InChIKey is MZXDJXYJSARJQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-9-16-10(8-21-9)3-6-14(19)18-15-17-12-5-4-11(20-2)7-13(12)22-15/h4-5,7-8H,3,6H2,1-2H3,(H,17,18,19).
What are the key properties of N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide?
N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide has a molecular weight of 333.44 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-1,3-benzothiazol-2-yl)-3-(2-methyl-1,3-thiazol-4-yl)propanamide is sourced from PubChem (CID 110678670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).