1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol

C9H15N3OS — CID 130552808

IUPAC1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
SMILESNc1nc(CN2CCCC(O)C2)cs1
InChIInChI=1S/C9H15N3OS/c10-9-11-7(6-14-9)4-12-3-1-2-8(13)5-12/h6,8,13H,1-5H2,(H2,10,11)
InChIKeyVDYOAAVCIWHJRQ-UHFFFAOYSA-N
MW213.31 g/mol
LogP0.68
Rot. Bonds2

About 1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol

1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol (PubChem CID 130552808) has the molecular formula C9H15N3OS and a molecular weight of 213.31 g/mol. Its IUPAC name is 1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
PubChem CID130552808
Molecular FormulaC9H15N3OS
Molecular Weight213.31 g/mol
Exact Mass213.09
IUPAC Name1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol
SMILESNc1nc(CN2CCCC(O)C2)cs1
InChIInChI=1S/C9H15N3OS/c10-9-11-7(6-14-9)4-12-3-1-2-8(13)5-12/h6,8,13H,1-5H2,(H2,10,11)
InChIKeyVDYOAAVCIWHJRQ-UHFFFAOYSA-N
XLogP0.68
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 60645207
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine
CID 106587020
(3S)-1-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 29231219
4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine;dihydrochloride
CID 70789243
1-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]piperidin-3-ol
CID 61435144
(3S)-1-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidin-3-ol
CID 32611074
[1-[(2-amino-1,3-thiazol-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 126981102
2-[4-[[(3S)-3-hydroxypiperidin-1-yl]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 95899411
(3S)-1-[(2-anilino-1,3-thiazol-4-yl)methyl]pyrrolidin-3-ol
CID 111123242
1-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]piperidin-3-ol
CID 62208261
7-[(3-hydroxypiperidin-1-yl)methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 47103117

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The IUPAC name of 1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol (CID 130552808) is 1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol.
What is the SMILES notation for 1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The canonical SMILES for 1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol is Nc1nc(CN2CCCC(O)C2)cs1.
What is the InChIKey of 1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
The InChIKey is VDYOAAVCIWHJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3OS/c10-9-11-7(6-14-9)4-12-3-1-2-8(13)5-12/h6,8,13H,1-5H2,(H2,10,11).
What are the key properties of 1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol?
1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol has a molecular weight of 213.31 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-1,3-thiazol-4-yl)methyl]piperidin-3-ol is sourced from PubChem (CID 130552808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).