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

C16H26N2O2S — CID 82439419

IUPAC2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCC1CCCCN1Cc1nc(C(C)(C)C)c(CC(=O)O)s1
InChIInChI=1S/C16H26N2O2S/c1-11-7-5-6-8-18(11)10-13-17-15(16(2,3)4)12(21-13)9-14(19)20/h11H,5-10H2,1-4H3,(H,19,20)
InChIKeySQXPIKJGYNBMHV-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.44
Rot. Bonds4

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

2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid (PubChem CID 82439419) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is 2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
PubChem CID82439419
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC Name2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid
SMILESCC1CCCCN1Cc1nc(C(C)(C)C)c(CC(=O)O)s1
InChIInChI=1S/C16H26N2O2S/c1-11-7-5-6-8-18(11)10-13-17-15(16(2,3)4)12(21-13)9-14(19)20/h11H,5-10H2,1-4H3,(H,19,20)
InChIKeySQXPIKJGYNBMHV-UHFFFAOYSA-N
XLogP3.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82439416
4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227364
1-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]ethanone
CID 82427476
2-[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82427472
2-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 82424724
N-[[4-methyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]cyclopentanamine
CID 82427463
2-[2-[2-(2-methylpiperidin-1-yl)ethyl]-1,3-thiazol-5-yl]acetic acid
CID 82424977
2-[2-[(2-methylpiperidin-1-yl)methyl]-4-propyl-1,3-thiazol-5-yl]propan-2-amine
CID 82432975
1-[2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-4-yl]ethanone
CID 82515560
N-[[4-(methoxymethyl)-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]methyl]ethanamine
CID 82441505
2-[4-cyclopropyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetonitrile
CID 82437627
2-[4-methyl-2-(pyrrolidin-1-ylmethyl)-1,3-thiazol-5-yl]acetic acid
CID 82117421

Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The IUPAC name of 2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid (CID 82439419) is 2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid.
What is the SMILES notation for 2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The canonical SMILES for 2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid is CC1CCCCN1Cc1nc(C(C)(C)C)c(CC(=O)O)s1.
What is the InChIKey of 2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
The InChIKey is SQXPIKJGYNBMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11-7-5-6-8-18(11)10-13-17-15(16(2,3)4)12(21-13)9-14(19)20/h11H,5-10H2,1-4H3,(H,19,20).
What are the key properties of 2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid?
2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid has a molecular weight of 310.46 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-2-[(2-methylpiperidin-1-yl)methyl]-1,3-thiazol-5-yl]acetic acid is sourced from PubChem (CID 82439419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).