[1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol

C12H19N3OS — CID 103361589

IUPAC[1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
SMILESNc1nsc(N2CCCCC2CO)c1C1CC1
InChIInChI=1S/C12H19N3OS/c13-11-10(8-4-5-8)12(17-14-11)15-6-2-1-3-9(15)7-16/h8-9,16H,1-7H2,(H2,13,14)
InChIKeyAIOGPKNKVBKUBK-UHFFFAOYSA-N
MW253.37 g/mol
LogP1.95
Rot. Bonds3

About [1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol

[1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol (PubChem CID 103361589) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is [1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
PubChem CID103361589
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name[1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
SMILESNc1nsc(N2CCCCC2CO)c1C1CC1
InChIInChI=1S/C12H19N3OS/c13-11-10(8-4-5-8)12(17-14-11)15-6-2-1-3-9(15)7-16/h8-9,16H,1-7H2,(H2,13,14)
InChIKeyAIOGPKNKVBKUBK-UHFFFAOYSA-N
XLogP1.95
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(3-amino-4-cyclopropylsulfonyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol
CID 103349210
4-cyclopropyl-5-morpholin-4-yl-1,2-thiazol-3-amine
CID 103362101
[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methanol
CID 65274940
[1-(6-amino-2-cyclopropylpyrimidin-4-yl)azepan-2-yl]methanol
CID 116640662
1-[4-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-1,4-diazepan-1-yl]ethanone
CID 103361511
[1-(5-amino-1,3-thiazol-2-yl)piperidin-2-yl]methanol
CID 102767808
1-[1-(3-amino-4-methylsulfanyl-1,2-thiazol-5-yl)pyrrolidin-2-yl]propan-2-ol
CID 112748849
1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)-N-methylpiperidine-3-carboxamide
CID 103365979
5-(4-tert-butylpiperidin-1-yl)-4-cyclopropyl-1,2-thiazol-3-amine
CID 103360618
[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]azepan-2-yl]methanol
CID 116640714
4-cyclopropyl-5-N-(3-pyrrolidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
CID 103361131
[1-(6-aminopyrazin-2-yl)piperidin-2-yl]methanol
CID 80648142

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol?
The IUPAC name of [1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol (CID 103361589) is [1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol.
What is the SMILES notation for [1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol?
The canonical SMILES for [1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol is Nc1nsc(N2CCCCC2CO)c1C1CC1.
What is the InChIKey of [1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol?
The InChIKey is AIOGPKNKVBKUBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c13-11-10(8-4-5-8)12(17-14-11)15-6-2-1-3-9(15)7-16/h8-9,16H,1-7H2,(H2,13,14).
What are the key properties of [1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol?
[1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol has a molecular weight of 253.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-4-cyclopropyl-1,2-thiazol-5-yl)piperidin-2-yl]methanol is sourced from PubChem (CID 103361589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).