4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid

C10H15N3O3S — CID 87593845

IUPAC4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2nc(CO)cs2)CC1
InChIInChI=1S/C10H15N3O3S/c14-5-8-6-17-9(12-8)11-7-1-3-13(4-2-7)10(15)16/h6-7,14H,1-5H2,(H,11,12)(H,15,16)
InChIKeyYBLMOGIQYZMWTJ-UHFFFAOYSA-N
MW257.31 g/mol
LogP1.19
Rot. Bonds3

About 4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid

4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 87593845) has the molecular formula C10H15N3O3S and a molecular weight of 257.31 g/mol. Its IUPAC name is 4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID87593845
Molecular FormulaC10H15N3O3S
Molecular Weight257.31 g/mol
Exact Mass257.08
IUPAC Name4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2nc(CO)cs2)CC1
InChIInChI=1S/C10H15N3O3S/c14-5-8-6-17-9(12-8)11-7-1-3-13(4-2-7)10(15)16/h6-7,14H,1-5H2,(H,11,12)(H,15,16)
InChIKeyYBLMOGIQYZMWTJ-UHFFFAOYSA-N
XLogP1.19
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(cyclopentylamino)-1,3-thiazol-4-yl]acetic acid
CID 9154876
methyl 2-[2-[(1-methylpiperidin-4-yl)amino]-1,3-thiazol-4-yl]acetate
CID 80574702
4-ethyl-N-(1-methylpiperidin-4-yl)-1,3-thiazol-2-amine
CID 62961905
3-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]propanoic acid
CID 103486023
methyl 3-[2-(cyclopropylamino)-1,3-thiazol-4-yl]propanoate
CID 107039853
[4-(hydroxymethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87112196
ethyl (2R)-2-[4-[(4-ethyl-1,3-thiazol-2-yl)amino]piperidin-1-yl]propanoate
CID 99785660
azepan-1-yl-[2-(cyclopropylamino)-1,3-thiazol-4-yl]methanone
CID 71702866
3-[2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-ylamino)-1,3-thiazol-4-yl]propanoic acid
CID 103488290
4-(2-aminoethyl)-N-cyclopentyl-1,3-thiazol-2-amine
CID 28710824
4-ethyl-N-(1-methylpyrrolidin-3-yl)-1,3-thiazol-2-amine
CID 62962634
ethyl 2-[2-[(4-methylcyclohexyl)amino]-1,3-thiazol-4-yl]acetate
CID 80575639

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid (CID 87593845) is 4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(Nc2nc(CO)cs2)CC1.
What is the InChIKey of 4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is YBLMOGIQYZMWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3S/c14-5-8-6-17-9(12-8)11-7-1-3-13(4-2-7)10(15)16/h6-7,14H,1-5H2,(H,11,12)(H,15,16).
What are the key properties of 4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid?
4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 257.31 g/mol, XLogP of 1.19, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(hydroxymethyl)-1,3-thiazol-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 87593845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).