N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

C13H25N3S — CID 61251726

IUPACN-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC2CCCN(C)C2)=N1
InChIInChI=1S/C13H25N3S/c1-10(2)7-12-9-17-13(15-12)14-11-5-4-6-16(3)8-11/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyADURHNHBIRLUKK-UHFFFAOYSA-N
MW255.43 g/mol
LogP2.19
Rot. Bonds3

About N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine

N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 61251726) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID61251726
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC NameN-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)CC1CSC(NC2CCCN(C)C2)=N1
InChIInChI=1S/C13H25N3S/c1-10(2)7-12-9-17-13(15-12)14-11-5-4-6-16(3)8-11/h10-12H,4-9H2,1-3H3,(H,14,15)
InChIKeyADURHNHBIRLUKK-UHFFFAOYSA-N
XLogP2.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine 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 N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 61251726) is N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)CC1CSC(NC2CCCN(C)C2)=N1.
What is the InChIKey of N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is ADURHNHBIRLUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-10(2)7-12-9-17-13(15-12)14-11-5-4-6-16(3)8-11/h10-12H,4-9H2,1-3H3,(H,14,15).
What are the key properties of N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine?
N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpiperidin-3-yl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 61251726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).