N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine

C17H29N3S — CID 63915972

IUPACN-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCCCCCC2)nc1C1CC1
InChIInChI=1S/C17H29N3S/c1-2-10-18-13-15-16(14-8-9-14)19-17(21-15)20-11-6-4-3-5-7-12-20/h14,18H,2-13H2,1H3
InChIKeyYTJCIXUBXFLQPO-UHFFFAOYSA-N
MW307.51 g/mol
LogP4.29
Rot. Bonds6

About N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine

N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine (PubChem CID 63915972) has the molecular formula C17H29N3S and a molecular weight of 307.51 g/mol. Its IUPAC name is N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
PubChem CID63915972
Molecular FormulaC17H29N3S
Molecular Weight307.51 g/mol
Exact Mass307.21
IUPAC NameN-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine
SMILESCCCNCc1sc(N2CCCCCCC2)nc1C1CC1
InChIInChI=1S/C17H29N3S/c1-2-10-18-13-15-16(14-8-9-14)19-17(21-15)20-11-6-4-3-5-7-12-20/h14,18H,2-13H2,1H3
InChIKeyYTJCIXUBXFLQPO-UHFFFAOYSA-N
XLogP4.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.51
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-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-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine (CID 63915972) is N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine is CCCNCc1sc(N2CCCCCCC2)nc1C1CC1.
What is the InChIKey of N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
The InChIKey is YTJCIXUBXFLQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3S/c1-2-10-18-13-15-16(14-8-9-14)19-17(21-15)20-11-6-4-3-5-7-12-20/h14,18H,2-13H2,1H3.
What are the key properties of N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine?
N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine has a molecular weight of 307.51 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(azocan-1-yl)-4-cyclopropyl-1,3-thiazol-5-yl]methyl]propan-1-amine is sourced from PubChem (CID 63915972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).