[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine

C10H17N3S — CID 115090240

IUPAC[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(CC2CCNCC2)s1
InChIInChI=1S/C10H17N3S/c11-6-9-7-13-10(14-9)5-8-1-3-12-4-2-8/h7-8,12H,1-6,11H2
InChIKeyYMGJPGSKBWECNC-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.14
Rot. Bonds3

About [2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine

[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine (PubChem CID 115090240) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is [2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
PubChem CID115090240
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine
SMILESNCc1cnc(CC2CCNCC2)s1
InChIInChI=1S/C10H17N3S/c11-6-9-7-13-10(14-9)5-8-1-3-12-4-2-8/h7-8,12H,1-6,11H2
InChIKeyYMGJPGSKBWECNC-UHFFFAOYSA-N
XLogP1.14
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]acetaldehyde
CID 115090212
1-[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-one
CID 115090214
[4-[[5-(aminomethyl)-1,3-thiazol-2-yl]methyl]cyclohexyl] carbamate
CID 134349841
5-(1-methylcyclopropyl)-2-(piperidin-4-ylmethyl)-1,3-thiazole
CID 115041812
[2-[(1-ethylpyrrolidin-3-yl)methyl]-1,3-thiazol-5-yl]methanamine
CID 115090087
2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]ethanamine
CID 115085458
1-[2-(thian-4-ylmethyl)-1,3-thiazol-5-yl]propan-2-ol
CID 115090197
[2-(piperidin-4-ylmethyl)phenyl]methanamine
CID 105456757
[2-(4-benzylpiperidin-1-yl)-1,3-thiazol-5-yl]methanamine
CID 62751684
2-[2-(piperidin-4-ylmethyl)-1,3-oxazol-5-yl]propan-1-amine
CID 115085410
2-[2-(thian-3-ylmethyl)-1,3-thiazol-5-yl]ethanamine
CID 115091155
[2-(2-piperidin-1-ylethyl)-1,3-thiazol-5-yl]methanamine
CID 115092051

Frequently Asked Questions

What is the IUPAC name of [2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine (CID 115090240) is [2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine is NCc1cnc(CC2CCNCC2)s1.
What is the InChIKey of [2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine?
The InChIKey is YMGJPGSKBWECNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c11-6-9-7-13-10(14-9)5-8-1-3-12-4-2-8/h7-8,12H,1-6,11H2.
What are the key properties of [2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine?
[2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(piperidin-4-ylmethyl)-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 115090240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).