2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

C10H15N3O3S — CID 91311103

IUPAC2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCOC1CN(c2ncc(C(=O)O)s2)CCC1N
InChIInChI=1S/C10H15N3O3S/c1-16-7-5-13(3-2-6(7)11)10-12-4-8(17-10)9(14)15/h4,6-7H,2-3,5,11H2,1H3,(H,14,15)
InChIKeySYTQTBSSTIOYRX-UHFFFAOYSA-N
MW257.31 g/mol
LogP0.39
Rot. Bonds3

About 2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid

2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (PubChem CID 91311103) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
PubChem CID91311103
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
SMILESCOC1CN(c2ncc(C(=O)O)s2)CCC1N
InChIInChI=1S/C10H15N3O3S/c1-16-7-5-13(3-2-6(7)11)10-12-4-8(17-10)9(14)15/h4,6-7H,2-3,5,11H2,1H3,(H,14,15)
InChIKeySYTQTBSSTIOYRX-UHFFFAOYSA-N
XLogP0.39
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(Morpholin-4-yl)-1,3-thiazole-5-carboxylic acid
CID 15475835
fluoro 2-[(3S)-4-[[(2E)-2-(1-chloro-2-methylprop-1-enyl)iminopropanoyl]amino]-3-propoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 143829203
fluoro 2-[(3S)-4-[[(2E)-2-[(Z)-1,2-dibromoprop-1-enyl]iminopropanoyl]amino]-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 143829217
fluoro 2-[(3S)-4-[[(2E)-2-[(Z)-1,2-dichloroprop-1-enyl]iminopropanoyl]amino]-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 143829237
2-[2-(Difluoromethoxymethyl)-4-[(4-methoxycyclohexyl)amino]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 156774332
2-[(2S)-4-[3-(difluoromethoxy)cyclobutyl]-2-(difluoromethoxymethyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 156774420
2-[4-[3-(Difluoromethoxy)cyclobutyl]-2-(difluoromethoxymethyl)piperazin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 175150942
2-[(2S,4S)-2-(difluoromethoxymethyl)-4-[(4-methoxycyclohexyl)amino]pyrrolidin-1-yl]-1,3-thiazole-5-carboxylic acid
CID 175151407
fluoro 2-[(3R,4R)-3-methoxy-4-methylpiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 143829244
2-(Piperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 33589513
methyl 2-[(3R,4R)-4-amino-3-methoxypiperidin-1-yl]-1,3-thiazole-5-carboxylate
CID 59406827
2-(4-Methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid
CID 62752434

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid (CID 91311103) is 2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is COC1CN(c2ncc(C(=O)O)s2)CCC1N.
What is the InChIKey of 2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
The InChIKey is SYTQTBSSTIOYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c1-16-7-5-13(3-2-6(7)11)10-12-4-8(17-10)9(14)15/h4,6-7H,2-3,5,11H2,1H3,(H,14,15).
What are the key properties of 2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid?
2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 0.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-3-methoxypiperidin-1-yl)-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 91311103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).