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

C13H18N2S — CID 115694154

IUPACN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine
SMILESC#CCCCCNCc1csc(C2CC2)n1
InChIInChI=1S/C13H18N2S/c1-2-3-4-5-8-14-9-12-10-16-13(15-12)11-6-7-11/h1,10-11,14H,3-9H2
InChIKeyMMFAQALERPKIMG-UHFFFAOYSA-N
MW234.37 g/mol
LogP2.91
Rot. Bonds7

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

N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine (PubChem CID 115694154) has the molecular formula C13H18N2S and a molecular weight of 234.37 g/mol. Its IUPAC name is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine.

Molecular Properties

Compound NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine
PubChem CID115694154
Molecular FormulaC13H18N2S
Molecular Weight234.37 g/mol
Exact Mass234.12
IUPAC NameN-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine
SMILESC#CCCCCNCc1csc(C2CC2)n1
InChIInChI=1S/C13H18N2S/c1-2-3-4-5-8-14-9-12-10-16-13(15-12)11-6-7-11/h1,10-11,14H,3-9H2
InChIKeyMMFAQALERPKIMG-UHFFFAOYSA-N
XLogP2.91
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.37
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-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

Related Compounds

3-cyclopropyl-N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 115639509
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 61281051
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-1-(thiolan-2-yl)methanamine
CID 115690921
2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]propan-1-ol
CID 115656408
1-(2-cyclopropyl-1,3-thiazol-4-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 115625726
1-cyclopentyl-2-[(2-cyclopropyl-1,3-thiazol-4-yl)methylamino]ethanol
CID 111425440
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-methylbutan-2-amine
CID 115625561
N-[[2-(1-methylpiperidin-4-yl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 116888553
N-(1,3-thiazol-5-ylmethyl)hex-5-yn-1-amine
CID 115732795
1-(2-cyclohexyl-1,3-thiazol-4-yl)-N-methylmethanamine
CID 61280857
N-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 61280289
N-[(2-cyclobutyl-1,3-thiazol-4-yl)methyl]-1-(4-fluorophenyl)methanamine
CID 97178754

Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine?
The IUPAC name of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine (CID 115694154) is N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine.
What is the SMILES notation for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine?
The canonical SMILES for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine is C#CCCCCNCc1csc(C2CC2)n1.
What is the InChIKey of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine?
The InChIKey is MMFAQALERPKIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2S/c1-2-3-4-5-8-14-9-12-10-16-13(15-12)11-6-7-11/h1,10-11,14H,3-9H2.
What are the key properties of N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine?
N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine has a molecular weight of 234.37 g/mol, XLogP of 2.91, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]hex-5-yn-1-amine is sourced from PubChem (CID 115694154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).