N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

C15H15N3O2S2 — CID 16563517

IUPACN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCN(C(=O)Cn1c(C)csc1=O)c1nc2ccccc2s1
InChIInChI=1S/C15H15N3O2S2/c1-3-17(13(19)8-18-10(2)9-21-15(18)20)14-16-11-6-4-5-7-12(11)22-14/h4-7,9H,3,8H2,1-2H3
InChIKeyYUHDQAMDNSFFNZ-UHFFFAOYSA-N
MW333.44 g/mol
LogP2.88
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide

N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (PubChem CID 16563517) has the molecular formula C15H15N3O2S2 and a molecular weight of 333.44 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
PubChem CID16563517
Molecular FormulaC15H15N3O2S2
Molecular Weight333.44 g/mol
Exact Mass333.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide
SMILESCCN(C(=O)Cn1c(C)csc1=O)c1nc2ccccc2s1
InChIInChI=1S/C15H15N3O2S2/c1-3-17(13(19)8-18-10(2)9-21-15(18)20)14-16-11-6-4-5-7-12(11)22-14/h4-7,9H,3,8H2,1-2H3
InChIKeyYUHDQAMDNSFFNZ-UHFFFAOYSA-N
XLogP2.88
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide (CID 16563517) is N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is CCN(C(=O)Cn1c(C)csc1=O)c1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
The InChIKey is YUHDQAMDNSFFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S2/c1-3-17(13(19)8-18-10(2)9-21-15(18)20)14-16-11-6-4-5-7-12(11)22-14/h4-7,9H,3,8H2,1-2H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide?
N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide has a molecular weight of 333.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-ethyl-2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetamide is sourced from PubChem (CID 16563517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).