2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid

C15H19N3O2S2 — CID 167935062

IUPAC2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(CN2CCC(c3nc(CC(=O)O)cs3)CC2)sn1
InChIInChI=1S/C15H19N3O2S2/c1-10-6-13(22-17-10)8-18-4-2-11(3-5-18)15-16-12(9-21-15)7-14(19)20/h6,9,11H,2-5,7-8H2,1H3,(H,19,20)
InChIKeyCABKEZWYXFJLSV-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.91
Rot. Bonds5

About 2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid

2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid (PubChem CID 167935062) has the molecular formula C15H19N3O2S2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid
PubChem CID167935062
Molecular FormulaC15H19N3O2S2
Molecular Weight337.47 g/mol
Exact Mass337.09
IUPAC Name2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid
SMILESCc1cc(CN2CCC(c3nc(CC(=O)O)cs3)CC2)sn1
InChIInChI=1S/C15H19N3O2S2/c1-10-6-13(22-17-10)8-18-4-2-11(3-5-18)15-16-12(9-21-15)7-14(19)20/h6,9,11H,2-5,7-8H2,1H3,(H,19,20)
InChIKeyCABKEZWYXFJLSV-UHFFFAOYSA-N
XLogP2.91
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid with MolForge

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Related Compounds

2-(2-cyclopentyl-1,3-thiazol-4-yl)acetic acid
CID 60922034
2-[2-(4-methylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 79078482
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxylic acid
CID 119908160
2-[2-(3-ethylcyclopentyl)-1,3-thiazol-4-yl]acetic acid
CID 65409041
2-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-5,5-difluoroazepan-4-yl]acetic acid
CID 166278088
(2S)-2-[4-(4-methyl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
CID 124623176
2-[2-(4-propan-2-ylmorpholin-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 79657361
3-[2-(1-propan-2-ylpiperidin-4-yl)-1,3-thiazol-4-yl]propanoic acid
CID 115087902
1-[(2-cyclohexyl-1,3-thiazol-4-yl)methyl]piperidine-4-carboxamide
CID 56812929
ethyl 2-(2-cyclobutyl-1,3-thiazol-4-yl)acetate
CID 80573343
ethyl 2-[2-(1-prop-2-enoylpiperidin-4-yl)-1,3-thiazol-4-yl]acetate
CID 166408511
N-[1-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]cyclobutanecarboxamide
CID 165434496

Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid (CID 167935062) is 2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid is Cc1cc(CN2CCC(c3nc(CC(=O)O)cs3)CC2)sn1.
What is the InChIKey of 2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid?
The InChIKey is CABKEZWYXFJLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S2/c1-10-6-13(22-17-10)8-18-4-2-11(3-5-18)15-16-12(9-21-15)7-14(19)20/h6,9,11H,2-5,7-8H2,1H3,(H,19,20).
What are the key properties of 2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid?
2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid has a molecular weight of 337.47 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-[(3-methyl-1,2-thiazol-5-yl)methyl]piperidin-4-yl]-1,3-thiazol-4-yl]acetic acid is sourced from PubChem (CID 167935062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).