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

C16H24N2O2S — CID 82437854

IUPAC2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
SMILESCC1CCN(CCc2nc(C3CC3)c(CC(=O)O)s2)CC1
InChIInChI=1S/C16H24N2O2S/c1-11-4-7-18(8-5-11)9-6-14-17-16(12-2-3-12)13(21-14)10-15(19)20/h11-12H,2-10H2,1H3,(H,19,20)
InChIKeyZQCDKHJZNNAOFW-UHFFFAOYSA-N
MW308.45 g/mol
LogP2.92
Rot. Bonds6

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

2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 82437854) has the molecular formula C16H24N2O2S and a molecular weight of 308.45 g/mol. Its IUPAC name is 2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID82437854
Molecular FormulaC16H24N2O2S
Molecular Weight308.45 g/mol
Exact Mass308.16
IUPAC Name2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
SMILESCC1CCN(CCc2nc(C3CC3)c(CC(=O)O)s2)CC1
InChIInChI=1S/C16H24N2O2S/c1-11-4-7-18(8-5-11)9-6-14-17-16(12-2-3-12)13(21-14)10-15(19)20/h11-12H,2-10H2,1H3,(H,19,20)
InChIKeyZQCDKHJZNNAOFW-UHFFFAOYSA-N
XLogP2.92
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 ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82437849
2-[4-cyclopropyl-2-[(4-methylpiperazin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82437711
4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carbonitrile
CID 82437848
2-[4-cyclopropyl-2-[(dimethylamino)methyl]-1,3-thiazol-5-yl]acetic acid
CID 82437537
4-cyclopropyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82227605
2-[4-methyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82054979
2-[4-methyl-2-[2-(4-methylpiperazin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82124315
2-[2-(4-methylpiperidin-1-yl)ethyl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 94971363
(E)-3-[4-methyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82427705
2-[4-ethyl-2-(2-pyrrolidin-1-ylethyl)-1,3-thiazol-5-yl]acetic acid
CID 82430708
2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazole-5-carboxylic acid
CID 82191374
[2-[2-(azepan-1-yl)ethyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanamine
CID 82437914

Frequently Asked Questions

What is the IUPAC name of 2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid (CID 82437854) is 2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid is CC1CCN(CCc2nc(C3CC3)c(CC(=O)O)s2)CC1.
What is the InChIKey of 2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is ZQCDKHJZNNAOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2S/c1-11-4-7-18(8-5-11)9-6-14-17-16(12-2-3-12)13(21-14)10-15(19)20/h11-12H,2-10H2,1H3,(H,19,20).
What are the key properties of 2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid?
2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 308.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-cyclopropyl-2-[2-(4-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82437854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).