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

C12H21N3S — CID 90965970

IUPAC2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine
SMILESCCCNc1csc(CN2CCCCC2)n1
InChIInChI=1S/C12H21N3S/c1-2-6-13-11-10-16-12(14-11)9-15-7-4-3-5-8-15/h10,13H,2-9H2,1H3
InChIKeyPGPUVCGKPBZCRB-UHFFFAOYSA-N
MW239.39 g/mol
LogP2.95
Rot. Bonds5

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

2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine (PubChem CID 90965970) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is 2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine
PubChem CID90965970
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC Name2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine
SMILESCCCNc1csc(CN2CCCCC2)n1
InChIInChI=1S/C12H21N3S/c1-2-6-13-11-10-16-12(14-11)9-15-7-4-3-5-8-15/h10,13H,2-9H2,1H3
InChIKeyPGPUVCGKPBZCRB-UHFFFAOYSA-N
XLogP2.95
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine?
The IUPAC name of 2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine (CID 90965970) is 2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine?
The canonical SMILES for 2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine is CCCNc1csc(CN2CCCCC2)n1.
What is the InChIKey of 2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine?
The InChIKey is PGPUVCGKPBZCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-2-6-13-11-10-16-12(14-11)9-15-7-4-3-5-8-15/h10,13H,2-9H2,1H3.
What are the key properties of 2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine?
2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine has a molecular weight of 239.39 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-1-ylmethyl)-N-propyl-1,3-thiazol-4-amine is sourced from PubChem (CID 90965970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).