2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide

C14H16ClN3OS — CID 64684608

IUPAC2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide
SMILESNC1(CC(=O)Nc2c(Cl)ccc3scnc23)CCCC1
InChIInChI=1S/C14H16ClN3OS/c15-9-3-4-10-13(17-8-20-10)12(9)18-11(19)7-14(16)5-1-2-6-14/h3-4,8H,1-2,5-7,16H2,(H,18,19)
InChIKeyOWJCELFRBFFHLG-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.55
Rot. Bonds3

About 2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide

2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide (PubChem CID 64684608) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide
PubChem CID64684608
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide
SMILESNC1(CC(=O)Nc2c(Cl)ccc3scnc23)CCCC1
InChIInChI=1S/C14H16ClN3OS/c15-9-3-4-10-13(17-8-20-10)12(9)18-11(19)7-14(16)5-1-2-6-14/h3-4,8H,1-2,5-7,16H2,(H,18,19)
InChIKeyOWJCELFRBFFHLG-UHFFFAOYSA-N
XLogP3.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(5-chloro-1,3-benzothiazol-4-yl)amino]-6-oxohexanoic acid
CID 60942033
2-(1-aminocyclohexyl)-N-(2,6-dichloro-3-methylphenyl)acetamide
CID 64683924
2-(1-aminocyclopentyl)-N-(5-chloro-2-pyridinyl)acetamide
CID 64684760
N-(5-chloro-1,3-benzothiazol-4-yl)-2-ethylpyrrolidine-2-carboxamide
CID 83072254
2-(1-aminocyclopentyl)-N-(2,5-dichlorophenyl)acetamide
CID 64683722
N-(5-chloro-1,3-benzothiazol-4-yl)-2-piperidin-4-yloxyacetamide
CID 63877586
3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)cyclohexane-1-carboxamide
CID 63043233
3-amino-4-chloro-N-(5-chloro-1,3-benzothiazol-4-yl)benzamide
CID 43699875
2-(1-aminocyclopentyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 64684559
2-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-4-methylsulfonylbutanamide
CID 43699874
2-(1-aminocyclohexyl)-N-(2,4,5-trichlorophenyl)acetamide
CID 64685123
3-amino-N-(5-chloro-1,3-benzothiazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 55114948

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide?
The IUPAC name of 2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide (CID 64684608) is 2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide.
What is the SMILES notation for 2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide?
The canonical SMILES for 2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide is NC1(CC(=O)Nc2c(Cl)ccc3scnc23)CCCC1.
What is the InChIKey of 2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide?
The InChIKey is OWJCELFRBFFHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-9-3-4-10-13(17-8-20-10)12(9)18-11(19)7-14(16)5-1-2-6-14/h3-4,8H,1-2,5-7,16H2,(H,18,19).
What are the key properties of 2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide?
2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide has a molecular weight of 309.82 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminocyclopentyl)-N-(5-chloro-1,3-benzothiazol-4-yl)acetamide is sourced from PubChem (CID 64684608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).