2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide

C13H16ClN3OS — CID 60852655

IUPAC2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
SMILESCCC(C)NCC(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H16ClN3OS/c1-3-8(2)15-7-12(18)17-13-16-10-5-4-9(14)6-11(10)19-13/h4-6,8,15H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyXFSFKZYPXJURGJ-UHFFFAOYSA-N
MW297.81 g/mol
LogP3.28
Rot. Bonds5

About 2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide

2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide (PubChem CID 60852655) has the molecular formula C13H16ClN3OS and a molecular weight of 297.81 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
PubChem CID60852655
Molecular FormulaC13H16ClN3OS
Molecular Weight297.81 g/mol
Exact Mass297.07
IUPAC Name2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
SMILESCCC(C)NCC(=O)Nc1nc2ccc(Cl)cc2s1
InChIInChI=1S/C13H16ClN3OS/c1-3-8(2)15-7-12(18)17-13-16-10-5-4-9(14)6-11(10)19-13/h4-6,8,15H,3,7H2,1-2H3,(H,16,17,18)
InChIKeyXFSFKZYPXJURGJ-UHFFFAOYSA-N
XLogP3.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.81
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3-chlorophenyl)ethylamino]-N-(6-fluoro-1,3-benzothiazol-2-yl)acetamide
CID 112801228
2-tert-butylsulfanyl-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide
CID 112794492
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 29455630
2-(propan-2-ylamino)-N-[2-[[2-(propan-2-ylamino)acetyl]amino]-[1,3]thiazolo[4,5-f][1,3]benzothiazol-6-yl]acetamide
CID 15179976
N-(6-chloro-1,3-benzothiazol-2-yl)-2-phosphonatoacetamide
CID 2075016
6-[(6-chloro-1,3-benzothiazol-2-yl)amino]-6-oxohexanoic acid
CID 43529458
2-acetamido-N-(6-chloro-1,3-benzothiazol-2-yl)-3-methylbutanamide
CID 18774937
(2S)-2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-4-methylpentanamide
CID 14285781
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-methylphenyl)sulfonylacetamide
CID 7543712
2-amino-N-(6-chloro-1,3-benzothiazol-2-yl)-2-methylbutanamide
CID 79790796
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-fluorophenyl)acetamide
CID 2109067
N-(6-chloro-1,3-benzothiazol-2-yl)-2-(4-sulfanylphenyl)acetamide
CID 107020051

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide (CID 60852655) is 2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide is CCC(C)NCC(=O)Nc1nc2ccc(Cl)cc2s1.
What is the InChIKey of 2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
The InChIKey is XFSFKZYPXJURGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3OS/c1-3-8(2)15-7-12(18)17-13-16-10-5-4-9(14)6-11(10)19-13/h4-6,8,15H,3,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide?
2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide has a molecular weight of 297.81 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(6-chloro-1,3-benzothiazol-2-yl)acetamide is sourced from PubChem (CID 60852655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).