2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide

C9H8ClN3OS — CID 43306475

IUPAC2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide
SMILESNC(=O)CNc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C9H8ClN3OS/c10-5-1-2-7-6(3-5)13-9(15-7)12-4-8(11)14/h1-3H,4H2,(H2,11,14)(H,12,13)
InChIKeyOLNUBHYQWRJGLW-UHFFFAOYSA-N
MW241.70 g/mol
LogP1.85
Rot. Bonds3

About 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide

2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide (PubChem CID 43306475) has the molecular formula C9H8ClN3OS and a molecular weight of 241.70 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide
PubChem CID43306475
Molecular FormulaC9H8ClN3OS
Molecular Weight241.70 g/mol
Exact Mass241.01
IUPAC Name2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide
SMILESNC(=O)CNc1nc2cc(Cl)ccc2s1
InChIInChI=1S/C9H8ClN3OS/c10-5-1-2-7-6(3-5)13-9(15-7)12-4-8(11)14/h1-3H,4H2,(H2,11,14)(H,12,13)
InChIKeyOLNUBHYQWRJGLW-UHFFFAOYSA-N
XLogP1.85
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.70
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-1,3-benzothiazol-2-yl)amino]-N-ethylacetamide
CID 43566527
4-[(6-chloro-1,3-benzothiazol-2-yl)amino]butanamide
CID 79526160
3-[2-[(5-chloro-1,3-benzothiazol-2-yl)amino]ethyl]-1,1-dimethylurea
CID 83114642
N-[(4-bromophenyl)methyl]-5-chloro-1,3-benzothiazol-2-amine
CID 54937658
5-chloro-N-(3-methyl-2-propan-2-ylbutyl)-1,3-benzothiazol-2-amine
CID 102906846
ethyl 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]propanoate
CID 54960138
5-chloro-N-(cyclopentylmethyl)-1,3-benzothiazol-2-amine
CID 43371237
(E)-4-[(5-chloro-1,3-benzothiazol-2-yl)amino]-4-oxobut-2-enoic acid
CID 1389052
5-chloro-N-(2,2,3,3-tetrafluoropropyl)-1,3-benzothiazol-2-amine
CID 106294877
3-[(5-bromo-1,3-benzothiazol-2-yl)amino]propanamide
CID 43553812
methyl 2-(5-chloro-1,3-benzothiazol-2-yl)acetate
CID 79475132
4-[(5-methyl-1,3-benzothiazol-2-yl)amino]butanamide
CID 60864154

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide?
The IUPAC name of 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide (CID 43306475) is 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide.
What is the SMILES notation for 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide?
The canonical SMILES for 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide is NC(=O)CNc1nc2cc(Cl)ccc2s1.
What is the InChIKey of 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide?
The InChIKey is OLNUBHYQWRJGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3OS/c10-5-1-2-7-6(3-5)13-9(15-7)12-4-8(11)14/h1-3H,4H2,(H2,11,14)(H,12,13).
What are the key properties of 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide?
2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide has a molecular weight of 241.70 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-benzothiazol-2-yl)amino]acetamide is sourced from PubChem (CID 43306475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).