4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine

C9H15N3S — CID 767904

IUPAC4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C9H15N3S/c10-9-11-8(7-13-9)6-12-4-2-1-3-5-12/h7H,1-6H2,(H2,10,11)
InChIKeyHHQPZGLNMNUGFQ-UHFFFAOYSA-N
MW197.31 g/mol
LogP1.71
Rot. Bonds2

About 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine

4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine (PubChem CID 767904) has the molecular formula C9H15N3S and a molecular weight of 197.31 g/mol. Its IUPAC name is 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
PubChem CID767904
Molecular FormulaC9H15N3S
Molecular Weight197.31 g/mol
Exact Mass197.10
IUPAC Name4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine
SMILESNc1nc(CN2CCCCC2)cs1
InChIInChI=1S/C9H15N3S/c10-9-11-8(7-13-9)6-12-4-2-1-3-5-12/h7H,1-6H2,(H2,10,11)
InChIKeyHHQPZGLNMNUGFQ-UHFFFAOYSA-N
XLogP1.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine (CID 767904) is 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine is Nc1nc(CN2CCCCC2)cs1.
What is the InChIKey of 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine?
The InChIKey is HHQPZGLNMNUGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S/c10-9-11-8(7-13-9)6-12-4-2-1-3-5-12/h7H,1-6H2,(H2,10,11).
What are the key properties of 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine?
4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine has a molecular weight of 197.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-1-ylmethyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 767904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).