2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid

C11H16N2O2S — CID 116891647

IUPAC2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1csc(C2CCCC2)n1
InChIInChI=1S/C11H16N2O2S/c1-12-9(11(14)15)8-6-16-10(13-8)7-4-2-3-5-7/h6-7,9,12H,2-5H2,1H3,(H,14,15)
InChIKeyHRYDNRYDYWILBA-UHFFFAOYSA-N
MW240.33 g/mol
LogP2.15
Rot. Bonds4

About 2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid

2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid (PubChem CID 116891647) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is 2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid.

Molecular Properties

Compound Name2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid
PubChem CID116891647
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC Name2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid
SMILESCNC(C(=O)O)c1csc(C2CCCC2)n1
InChIInChI=1S/C11H16N2O2S/c1-12-9(11(14)15)8-6-16-10(13-8)7-4-2-3-5-7/h6-7,9,12H,2-5H2,1H3,(H,14,15)
InChIKeyHRYDNRYDYWILBA-UHFFFAOYSA-N
XLogP2.15
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyclooctyl-1,3-thiazol-4-yl)ethanamine
CID 80609462
methyl 2-(2-cyclopentyl-1,3-thiazol-4-yl)butanoate
CID 116891448
2-[2-(oxan-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 116889217
3-(2-cyclopentyl-1,3-thiazol-4-yl)-2-methylpropanoic acid
CID 116889289
(3S)-N-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 95991014
3-(4-cyclohexyl-1,3-thiazol-2-yl)-2-(methylamino)propanoic acid
CID 116969836
N-propan-2-yl-4-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 53016871
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
4-(1-chloroethyl)-2-cyclopropyl-1,3-thiazole
CID 169267593
1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
2-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 138036512
N-methyl-1-[2-(thian-2-yl)-1,3-thiazol-4-yl]ethanamine
CID 80627617

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid?
The IUPAC name of 2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid (CID 116891647) is 2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid.
What is the SMILES notation for 2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid?
The canonical SMILES for 2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid is CNC(C(=O)O)c1csc(C2CCCC2)n1.
What is the InChIKey of 2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid?
The InChIKey is HRYDNRYDYWILBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-12-9(11(14)15)8-6-16-10(13-8)7-4-2-3-5-7/h6-7,9,12H,2-5H2,1H3,(H,14,15).
What are the key properties of 2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid?
2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid has a molecular weight of 240.33 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclopentyl-1,3-thiazol-4-yl)-2-(methylamino)acetic acid is sourced from PubChem (CID 116891647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).