1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid

C16H24N2O2S — CID 119908160

IUPAC1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2csc(C3CCCCC3)n2)CC1
InChIInChI=1S/C16H24N2O2S/c19-16(20)13-6-8-18(9-7-13)10-14-11-21-15(17-14)12-4-2-1-3-5-12/h11-13H,1-10H2,(H,19,20)
InChIKeyYPWCOAPEPVWWJX-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.49
Rot. Bonds4

About 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid

1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid (PubChem CID 119908160) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
PubChem CID119908160
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(Cc2csc(C3CCCCC3)n2)CC1
InChIInChI=1S/C16H24N2O2S/c19-16(20)13-6-8-18(9-7-13)10-14-11-21-15(17-14)12-4-2-1-3-5-12/h11-13H,1-10H2,(H,19,20)
InChIKeyYPWCOAPEPVWWJX-UHFFFAOYSA-N
XLogP3.49
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56812929
(2R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119913941
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434496
2-piperidin-4-yl-4-(pyrrolidin-1-ylmethyl)-1,3-thiazole
CID 82278133
3-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]propanoic acid
CID 122101002
N-[(2S)-butan-2-yl]-2-[4-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]acetamide
CID 51946628
2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
1-[[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxylic acid
CID 119906545
2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5,5-difluoroazepan-4-yl]acetic acid
CID 166278088
2-cyclopentyl-4-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 171130226
2-cyclopentyl-4-[(4-methylsulfonyl-1,4-diazepan-1-yl)methyl]-1,3-thiazole
CID 165435501
1-[1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]-4-(fluoromethyl)pyrrolidin-2-one
CID 126899813

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid (CID 119908160) is 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(Cc2csc(C3CCCCC3)n2)CC1.
What is the InChIKey of 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid?
The InChIKey is YPWCOAPEPVWWJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c19-16(20)13-6-8-18(9-7-13)10-14-11-21-15(17-14)12-4-2-1-3-5-12/h11-13H,1-10H2,(H,19,20).
What are the key properties of 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid?
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid has a molecular weight of 308.45 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 119908160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).