2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid

C14H16N2O2S — CID 60838670

IUPAC2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid
SMILESO=C(O)CN(c1nc2ccccc2s1)C1CCCC1
InChIInChI=1S/C14H16N2O2S/c17-13(18)9-16(10-5-1-2-6-10)14-15-11-7-3-4-8-12(11)19-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18)
InChIKeyOMRIVBGJIVCYER-UHFFFAOYSA-N
MW276.36 g/mol
LogP3.13
Rot. Bonds4

About 2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid

2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid (PubChem CID 60838670) has the molecular formula C14H16N2O2S and a molecular weight of 276.36 g/mol. Its IUPAC name is 2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid.

Molecular Properties

Compound Name2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid
PubChem CID60838670
Molecular FormulaC14H16N2O2S
Molecular Weight276.36 g/mol
Exact Mass276.09
IUPAC Name2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid
SMILESO=C(O)CN(c1nc2ccccc2s1)C1CCCC1
InChIInChI=1S/C14H16N2O2S/c17-13(18)9-16(10-5-1-2-6-10)14-15-11-7-3-4-8-12(11)19-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18)
InChIKeyOMRIVBGJIVCYER-UHFFFAOYSA-N
XLogP3.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloroethyl)-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 102871700
N-(2-bromoethyl)-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 80675483
N'-(1,3-benzothiazol-2-yl)-N'-cyclohexylpropane-1,3-diamine
CID 60870636
N-(1,3-benzothiazol-2-ylmethyl)-N-cyclohexylaniline
CID 164665828
2-[1,3-benzothiazol-2-yl(methyl)amino]-N-cyclohexylacetamide
CID 90605360
2-(2-amino-N-cyclohexylanilino)acetic acid
CID 63118711
2-[1,3-benzothiazole-2-carbonyl(methyl)amino]acetic acid
CID 110488490
(E)-3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-ethylprop-2-enamide
CID 55520338
N-(azetidin-3-yl)-N-ethyl-1,3-benzothiazol-2-amine
CID 66182631
trans-(1S,2S)-N-(1,3-benzothiazol-2-yl)-N,2-dimethylcyclopropane-1-carboxamide
CID 34248200
3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylprop-2-enamide
CID 76857537
3-(1,3-benzothiazol-2-yl)-N-cyclohexyl-N-methylpropanamide
CID 78774445

Frequently Asked Questions

What is the IUPAC name of 2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid?
The IUPAC name of 2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid (CID 60838670) is 2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid.
What is the SMILES notation for 2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid?
The canonical SMILES for 2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid is O=C(O)CN(c1nc2ccccc2s1)C1CCCC1.
What is the InChIKey of 2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid?
The InChIKey is OMRIVBGJIVCYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2S/c17-13(18)9-16(10-5-1-2-6-10)14-15-11-7-3-4-8-12(11)19-14/h3-4,7-8,10H,1-2,5-6,9H2,(H,17,18).
What are the key properties of 2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid?
2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid has a molecular weight of 276.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-benzothiazol-2-yl(cyclopentyl)amino]acetic acid is sourced from PubChem (CID 60838670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).