N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide

C14H17N3O3S — CID 4106006

IUPACN-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide
SMILESCOCCn1/c(=N/C(C)=O)sc2cc(NC(C)=O)ccc21
InChIInChI=1S/C14H17N3O3S/c1-9(18)15-11-4-5-12-13(8-11)21-14(16-10(2)19)17(12)6-7-20-3/h4-5,8H,6-7H2,1-3H3,(H,15,18)/b16-14-
InChIKeyLWXNBMQYRKQFLZ-PEZBUJJGSA-N
MW307.38 g/mol
LogP1.75
Rot. Bonds4

About N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide

N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide (PubChem CID 4106006) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide
PubChem CID4106006
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide
SMILESCOCCn1/c(=N/C(C)=O)sc2cc(NC(C)=O)ccc21
InChIInChI=1S/C14H17N3O3S/c1-9(18)15-11-4-5-12-13(8-11)21-14(16-10(2)19)17(12)6-7-20-3/h4-5,8H,6-7H2,1-3H3,(H,15,18)/b16-14-
InChIKeyLWXNBMQYRKQFLZ-PEZBUJJGSA-N
XLogP1.75
TPSA72.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide?
The IUPAC name of N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide (CID 4106006) is N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide.
What is the SMILES notation for N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide?
The canonical SMILES for N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide is COCCn1/c(=N/C(C)=O)sc2cc(NC(C)=O)ccc21.
What is the InChIKey of N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide?
The InChIKey is LWXNBMQYRKQFLZ-PEZBUJJGSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9(18)15-11-4-5-12-13(8-11)21-14(16-10(2)19)17(12)6-7-20-3/h4-5,8H,6-7H2,1-3H3,(H,15,18)/b16-14-.
What are the key properties of N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide?
N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide has a molecular weight of 307.38 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-acetylimino-3-(2-methoxyethyl)-1,3-benzothiazol-6-yl]acetamide is sourced from PubChem (CID 4106006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).