4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

C14H22N2O2S — CID 62765777

IUPAC4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1CCCN(c2nc(C(C)(C)C)c(C(=O)O)s2)C1
InChIInChI=1S/C14H22N2O2S/c1-9-6-5-7-16(8-9)13-15-11(14(2,3)4)10(19-13)12(17)18/h9H,5-8H2,1-4H3,(H,17,18)
InChIKeyIDGKTGVPKVIWAV-UHFFFAOYSA-N
MW282.41 g/mol
LogP3.38
Rot. Bonds2

About 4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 62765777) has the molecular formula C14H22N2O2S and a molecular weight of 282.41 g/mol. Its IUPAC name is 4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID62765777
Molecular FormulaC14H22N2O2S
Molecular Weight282.41 g/mol
Exact Mass282.14
IUPAC Name4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCC1CCCN(c2nc(C(C)(C)C)c(C(=O)O)s2)C1
InChIInChI=1S/C14H22N2O2S/c1-9-6-5-7-16(8-9)13-15-11(14(2,3)4)10(19-13)12(17)18/h9H,5-8H2,1-4H3,(H,17,18)
InChIKeyIDGKTGVPKVIWAV-UHFFFAOYSA-N
XLogP3.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1,3-thiazole-5-carboxylic acid
CID 104961192
4-tert-butyl-2-(2,6-dimethylmorpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 62765613
4-tert-butyl-2-morpholin-4-yl-1,3-thiazole-5-carboxylic acid
CID 62764238
methyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 78916486
N-[[4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 62764654
4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carbohydrazide
CID 82427919
4-methyl-2-(4-methylazepan-1-yl)-1,3-thiazole-5-carboxylic acid
CID 63626853
ethyl 4-methyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylate
CID 60528785
5-acetyl-2-(3-methylpyrrolidin-1-yl)-1,3-thiazole-4-carboxylic acid
CID 106697125
2-[3-(dimethylamino)pyrrolidin-1-yl]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylic acid
CID 68766985
2-[4-ethyl-2-(3-methylpiperidin-1-yl)-1,3-thiazol-5-yl]acetic acid
CID 82430991
2-[2-(3-methylpiperidin-1-yl)-4-propyl-1,3-thiazol-5-yl]acetic acid
CID 82433345

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 62765777) is 4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is CC1CCCN(c2nc(C(C)(C)C)c(C(=O)O)s2)C1.
What is the InChIKey of 4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is IDGKTGVPKVIWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2S/c1-9-6-5-7-16(8-9)13-15-11(14(2,3)4)10(19-13)12(17)18/h9H,5-8H2,1-4H3,(H,17,18).
What are the key properties of 4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 282.41 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(3-methylpiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 62765777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).