(2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid

C13H20N2O2S — CID 124623176

IUPAC(2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCC(c2nc(C)cs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-3-11(13(16)17)15-6-4-10(5-7-15)12-14-9(2)8-18-12/h8,10-11H,3-7H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyPFJUOWCVOIWBHZ-NSHDSACASA-N
MW268.38 g/mol
LogP2.49
Rot. Bonds4

About (2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid

(2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid (PubChem CID 124623176) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is (2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid.

Molecular Properties

Compound Name(2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
PubChem CID124623176
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name(2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
SMILESCC[C@@H](C(=O)O)N1CCC(c2nc(C)cs2)CC1
InChIInChI=1S/C13H20N2O2S/c1-3-11(13(16)17)15-6-4-10(5-7-15)12-14-9(2)8-18-12/h8,10-11H,3-7H2,1-2H3,(H,16,17)/t11-/m0/s1
InChIKeyPFJUOWCVOIWBHZ-NSHDSACASA-N
XLogP2.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazole
CID 58547619
ethyl (3R)-3-hydroxy-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-4-oxobutanoate
CID 124847429
2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanamine
CID 116965536
3-hydroxy-1-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-3-phenylbutan-1-one
CID 110025197
[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-phenylcyclopropyl)methanone
CID 56823628
3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087902
(4S)-4-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1,3-thiazolidin-2-one
CID 124607235
2-[1-(4-ethylsulfonylphenyl)sulfonylpiperidin-4-yl]-4-methyl-1,3-thiazole
CID 56510041
2-(4-aminopiperidin-1-yl)butanoic acid;hydrochloride
CID 138695310
4-methyl-2-piperidin-4-yl-1,3-thiazole
CID 23404938
5-[4-(4-methyl-1,3-thiazol-2-yl)piperidine-1-carbonyl]-1-phenylpyrazole-3-carboxylic acid
CID 119183904
1-(3,4-difluorophenyl)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]ethanol
CID 110912985

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid?
The IUPAC name of (2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid (CID 124623176) is (2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid.
What is the SMILES notation for (2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid?
The canonical SMILES for (2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid is CC[C@@H](C(=O)O)N1CCC(c2nc(C)cs2)CC1.
What is the InChIKey of (2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid?
The InChIKey is PFJUOWCVOIWBHZ-NSHDSACASA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-3-11(13(16)17)15-6-4-10(5-7-15)12-14-9(2)8-18-12/h8,10-11H,3-7H2,1-2H3,(H,16,17)/t11-/m0/s1.
What are the key properties of (2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid?
(2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid has a molecular weight of 268.38 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid is sourced from PubChem (CID 124623176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).