(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine

C10H17N3S — CID 46785718

IUPAC(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
SMILESCc1nc(N2CCCCC2)sc1CN
InChIInChI=1S/C10H17N3S/c1-8-9(7-11)14-10(12-8)13-5-3-2-4-6-13/h2-7,11H2,1H3
InChIKeySSSMOQMMHTZINF-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.90
Rot. Bonds2

About (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine

(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 46785718) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
PubChem CID46785718
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine
SMILESCc1nc(N2CCCCC2)sc1CN
InChIInChI=1S/C10H17N3S/c1-8-9(7-11)14-10(12-8)13-5-3-2-4-6-13/h2-7,11H2,1H3
InChIKeySSSMOQMMHTZINF-UHFFFAOYSA-N
XLogP1.90
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine (CID 46785718) is (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine is Cc1nc(N2CCCCC2)sc1CN.
What is the InChIKey of (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is SSSMOQMMHTZINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-9(7-11)14-10(12-8)13-5-3-2-4-6-13/h2-7,11H2,1H3.
What are the key properties of (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine?
(4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 211.33 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-piperidin-1-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 46785718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).