N-hex-1-yn-3-yl-1,3-thiazol-2-amine

C9H12N2S — CID 106231440

IUPACN-hex-1-yn-3-yl-1,3-thiazol-2-amine
SMILESC#CC(CCC)Nc1nccs1
InChIInChI=1S/C9H12N2S/c1-3-5-8(4-2)11-9-10-6-7-12-9/h2,6-8H,3,5H2,1H3,(H,10,11)
InChIKeyQYYZBVCPRYIJIR-UHFFFAOYSA-N
MW180.28 g/mol
LogP2.36
Rot. Bonds4

About N-hex-1-yn-3-yl-1,3-thiazol-2-amine

N-hex-1-yn-3-yl-1,3-thiazol-2-amine (PubChem CID 106231440) has the molecular formula C9H12N2S and a molecular weight of 180.28 g/mol. Its IUPAC name is N-hex-1-yn-3-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-hex-1-yn-3-yl-1,3-thiazol-2-amine
PubChem CID106231440
Molecular FormulaC9H12N2S
Molecular Weight180.28 g/mol
Exact Mass180.07
IUPAC NameN-hex-1-yn-3-yl-1,3-thiazol-2-amine
SMILESC#CC(CCC)Nc1nccs1
InChIInChI=1S/C9H12N2S/c1-3-5-8(4-2)11-9-10-6-7-12-9/h2,6-8H,3,5H2,1H3,(H,10,11)
InChIKeyQYYZBVCPRYIJIR-UHFFFAOYSA-N
XLogP2.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.28
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-hex-1-yn-3-yl-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

Related Compounds

N-but-3-yn-2-yl-1,3-thiazol-2-amine
CID 114417967
N-hex-1-yn-3-ylthieno[3,2-c]pyridin-4-amine
CID 106231740
1-N,1-N'-bis(1,3-thiazol-2-yl)pentane-1,1-diamine
CID 597966
(2S)-2-methyl-N-(1,3-thiazol-2-yl)pentanamide
CID 7302765
1-(1,3-thiazol-2-ylamino)propane-1-thiol
CID 123498240
N-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
N-hex-1-yn-3-ylpyrimidin-4-amine
CID 106231448
3,5-dibromo-N-hex-1-yn-3-ylpyridin-2-amine
CID 106231623
5-chloro-N-hex-1-yn-3-ylpyridin-2-amine
CID 106231577
N-dec-1-en-4-yl-1,3-thiazol-2-amine
CID 4711973
N-[1-(1,3-thiazol-2-yl)ethyl]-1,3-thiazol-2-amine
CID 63612751
N-(3,3-dimethylbutan-2-yl)-1,3-thiazol-2-amine
CID 104828727

Frequently Asked Questions

What is the IUPAC name of N-hex-1-yn-3-yl-1,3-thiazol-2-amine?
The IUPAC name of N-hex-1-yn-3-yl-1,3-thiazol-2-amine (CID 106231440) is N-hex-1-yn-3-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-hex-1-yn-3-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-hex-1-yn-3-yl-1,3-thiazol-2-amine is C#CC(CCC)Nc1nccs1.
What is the InChIKey of N-hex-1-yn-3-yl-1,3-thiazol-2-amine?
The InChIKey is QYYZBVCPRYIJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2S/c1-3-5-8(4-2)11-9-10-6-7-12-9/h2,6-8H,3,5H2,1H3,(H,10,11).
What are the key properties of N-hex-1-yn-3-yl-1,3-thiazol-2-amine?
N-hex-1-yn-3-yl-1,3-thiazol-2-amine has a molecular weight of 180.28 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-1-yn-3-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 106231440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).