3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid

C16H24N2O2S — CID 82437655

IUPAC3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
SMILESCC1CCCN(Cc2nc(C3CC3)c(CCC(=O)O)s2)C1
InChIInChI=1S/C16H24N2O2S/c1-11-3-2-8-18(9-11)10-14-17-16(12-4-5-12)13(21-14)6-7-15(19)20/h11-12H,2-10H2,1H3,(H,19,20)
InChIKeyRYDGCPHDASKYTM-UHFFFAOYSA-N
MW308.45 g/mol
LogP3.27
Rot. Bonds6

About 3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid

3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid (PubChem CID 82437655) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
PubChem CID82437655
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid
SMILESCC1CCCN(Cc2nc(C3CC3)c(CCC(=O)O)s2)C1
InChIInChI=1S/C16H24N2O2S/c1-11-3-2-8-18(9-11)10-14-17-16(12-4-5-12)13(21-14)6-7-15(19)20/h11-12H,2-10H2,1H3,(H,19,20)
InChIKeyRYDGCPHDASKYTM-UHFFFAOYSA-N
XLogP3.27
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82437638
2-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82437647
2-[2-[(3-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82432991
2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82437711
3-[2-[(4-methylpiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]propanoic acid
CID 82435312
[4-methyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 82427494
2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82437854
[4-(methoxymethyl)-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methanol
CID 82441519
3-[(3R)-3-methylpiperidin-1-yl]propanoic acid
CID 7258528
3-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]propanoic acid
CID 82433351
N-[[2-(azepan-1-ylmethyl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]ethanamine
CID 82437923
5-[[(3R)-3-methylpiperidin-1-yl]methyl]thiophene-2-carboxylic acid
CID 51861568

Frequently Asked Questions

What is the IUPAC name of 3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid?
The IUPAC name of 3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid (CID 82437655) is 3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid.
What is the SMILES notation for 3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid?
The canonical SMILES for 3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid is CC1CCCN(Cc2nc(C3CC3)c(CCC(=O)O)s2)C1.
What is the InChIKey of 3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid?
The InChIKey is RYDGCPHDASKYTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11-3-2-8-18(9-11)10-14-17-16(12-4-5-12)13(21-14)6-7-15(19)20/h11-12H,2-10H2,1H3,(H,19,20).
What are the key properties of 3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid?
3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid has a molecular weight of 308.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-cyclopropyl-2-[(3-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propanoic acid is sourced from PubChem (CID 82437655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).