1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol

C12H21N3O2S — CID 103365502

IUPAC1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol
SMILESCC(C)Oc1c(N)nsc1N1CCC(O)C(C)C1
InChIInChI=1S/C12H21N3O2S/c1-7(2)17-10-11(13)14-18-12(10)15-5-4-9(16)8(3)6-15/h7-9,16H,4-6H2,1-3H3,(H2,13,14)
InChIKeyCVMWNYWNWSOEJV-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.72
Rot. Bonds3

About 1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol

1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol (PubChem CID 103365502) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol
PubChem CID103365502
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol
SMILESCC(C)Oc1c(N)nsc1N1CCC(O)C(C)C1
InChIInChI=1S/C12H21N3O2S/c1-7(2)17-10-11(13)14-18-12(10)15-5-4-9(16)8(3)6-15/h7-9,16H,4-6H2,1-3H3,(H2,13,14)
InChIKeyCVMWNYWNWSOEJV-UHFFFAOYSA-N
XLogP1.72
TPSA71.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)piperidin-3-ol
CID 103361617
5-(3-piperidin-1-ylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103362856
1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)piperidine-4-carboxamide
CID 103362018
3-amino-5-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103365498
4-propan-2-yloxy-5-(4-propylazepan-1-yl)-1,2-thiazol-3-amine
CID 103363125
1-[4-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103361512
1-(2-amino-4-fluoro-5-propan-2-yloxyphenyl)-3-methylpiperidin-4-ol
CID 114677679
5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364368
5-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103362786
5-(3,3-diethylpyrrolidin-1-yl)-4-propan-2-yloxy-1,2-thiazol-3-amine
CID 103364562
ethyl 3-amino-5-(3-hydroxy-4-methylpiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384722
methyl 3-amino-5-(3-propan-2-ylpyrrolidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103384135

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol?
The IUPAC name of 1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol (CID 103365502) is 1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol?
The canonical SMILES for 1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol is CC(C)Oc1c(N)nsc1N1CCC(O)C(C)C1.
What is the InChIKey of 1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol?
The InChIKey is CVMWNYWNWSOEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-7(2)17-10-11(13)14-18-12(10)15-5-4-9(16)8(3)6-15/h7-9,16H,4-6H2,1-3H3,(H2,13,14).
What are the key properties of 1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol?
1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol has a molecular weight of 271.39 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 103365502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).