5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine

C12H22N4S — CID 103359232

IUPAC5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
SMILESCC(CNc1cc(N)ns1)CN1CCCCC1
InChIInChI=1S/C12H22N4S/c1-10(9-16-5-3-2-4-6-16)8-14-12-7-11(13)15-17-12/h7,10,14H,2-6,8-9H2,1H3,(H2,13,15)
InChIKeyCLAUFCCXNNGPTI-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.26
Rot. Bonds5

About 5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine

5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine (PubChem CID 103359232) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
PubChem CID103359232
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine
SMILESCC(CNc1cc(N)ns1)CN1CCCCC1
InChIInChI=1S/C12H22N4S/c1-10(9-16-5-3-2-4-6-16)8-14-12-7-11(13)15-17-12/h7,10,14H,2-6,8-9H2,1H3,(H2,13,15)
InChIKeyCLAUFCCXNNGPTI-UHFFFAOYSA-N
XLogP2.26
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The IUPAC name of 5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine (CID 103359232) is 5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine.
What is the SMILES notation for 5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The canonical SMILES for 5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine is CC(CNc1cc(N)ns1)CN1CCCCC1.
What is the InChIKey of 5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
The InChIKey is CLAUFCCXNNGPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-10(9-16-5-3-2-4-6-16)8-14-12-7-11(13)15-17-12/h7,10,14H,2-6,8-9H2,1H3,(H2,13,15).
What are the key properties of 5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine?
5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methyl-3-piperidin-1-ylpropyl)-1,2-thiazole-3,5-diamine is sourced from PubChem (CID 103359232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).