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

C10H17N3S — CID 61295888

IUPAC1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
SMILESCc1nc(CN2CCCC(N)C2)cs1
InChIInChI=1S/C10H17N3S/c1-8-12-10(7-14-8)6-13-4-2-3-9(11)5-13/h7,9H,2-6,11H2,1H3
InChIKeyLSAHPUXLIQRRSV-UHFFFAOYSA-N
MW211.33 g/mol
LogP1.37
Rot. Bonds2

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

1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine (PubChem CID 61295888) has the molecular formula C10H17N3S and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
PubChem CID61295888
Molecular FormulaC10H17N3S
Molecular Weight211.33 g/mol
Exact Mass211.11
IUPAC Name1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine
SMILESCc1nc(CN2CCCC(N)C2)cs1
InChIInChI=1S/C10H17N3S/c1-8-12-10(7-14-8)6-13-4-2-3-9(11)5-13/h7,9H,2-6,11H2,1H3
InChIKeyLSAHPUXLIQRRSV-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine (CID 61295888) is 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine is Cc1nc(CN2CCCC(N)C2)cs1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
The InChIKey is LSAHPUXLIQRRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3S/c1-8-12-10(7-14-8)6-13-4-2-3-9(11)5-13/h7,9H,2-6,11H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine?
1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine has a molecular weight of 211.33 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 61295888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).