2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid

C16H18N2O2S — CID 61009837

IUPAC2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H18N2O2S/c19-15(20)10-13-8-4-5-9-18(13)16-17-14(11-21-16)12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20)
InChIKeyXWIHBRBHRLOCHF-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.64
Rot. Bonds4

About 2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid

2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid (PubChem CID 61009837) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid
PubChem CID61009837
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid
SMILESO=C(O)CC1CCCCN1c1nc(-c2ccccc2)cs1
InChIInChI=1S/C16H18N2O2S/c19-15(20)10-13-8-4-5-9-18(13)16-17-14(11-21-16)12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20)
InChIKeyXWIHBRBHRLOCHF-UHFFFAOYSA-N
XLogP3.64
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-phenyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]methanol
CID 133371791
1-(4-phenyl-1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 4208594
2-cyclohexyl-N-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-4-yl]acetamide
CID 6489770
benzyl (2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1038969
1-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 46907711
benzyl (2S)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylate
CID 1283055
(2R)-1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 120965088
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxylic acid
CID 122058968
4-phenyl-2-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-1,3-thiazole
CID 14573306
2-[1-[(2-phenyl-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61370722
2-[1-(4-methylphthalazin-1-yl)piperidin-2-yl]acetic acid
CID 61009168
N-(4-phenyl-1,3-thiazol-2-yl)cyclopentanecarboxamide
CID 2163654

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid (CID 61009837) is 2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid is O=C(O)CC1CCCCN1c1nc(-c2ccccc2)cs1.
What is the InChIKey of 2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid?
The InChIKey is XWIHBRBHRLOCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c19-15(20)10-13-8-4-5-9-18(13)16-17-14(11-21-16)12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20).
What are the key properties of 2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid?
2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid has a molecular weight of 302.40 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-phenyl-1,3-thiazol-2-yl)piperidin-2-yl]acetic acid is sourced from PubChem (CID 61009837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).