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

C7H8N2S — CID 114417967

IUPACN-but-3-yn-2-yl-1,3-thiazol-2-amine
SMILESC#CC(C)Nc1nccs1
InChIInChI=1S/C7H8N2S/c1-3-6(2)9-7-8-4-5-10-7/h1,4-6H,2H3,(H,8,9)
InChIKeyLIGQGIHPVHXQLD-UHFFFAOYSA-N
MW152.22 g/mol
LogP1.58
Rot. Bonds2

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

N-but-3-yn-2-yl-1,3-thiazol-2-amine (PubChem CID 114417967) has the molecular formula C7H8N2S and a molecular weight of 152.22 g/mol. Its IUPAC name is N-but-3-yn-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-1,3-thiazol-2-amine
PubChem CID114417967
Molecular FormulaC7H8N2S
Molecular Weight152.22 g/mol
Exact Mass152.04
IUPAC NameN-but-3-yn-2-yl-1,3-thiazol-2-amine
SMILESC#CC(C)Nc1nccs1
InChIInChI=1S/C7H8N2S/c1-3-6(2)9-7-8-4-5-10-7/h1,4-6H,2H3,(H,8,9)
InChIKeyLIGQGIHPVHXQLD-UHFFFAOYSA-N
XLogP1.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-but-3-yn-2-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-propan-2-yl-1,3-thiazol-2-amine
CID 2160964
N-hex-1-yn-3-yl-1,3-thiazol-2-amine
CID 106231440
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
1-(1,3-thiazol-2-ylamino)propane-1-thiol
CID 123498240
N-(2-methylpropyl)-1,3-thiazol-2-amine
CID 4711878
5-[1-(1,3-thiazol-2-ylamino)ethyl]benzene-1,3-diol
CID 107706770
N-but-3-yn-2-ylpyrimidin-2-amine
CID 114382924
N-(2-chloropropyl)-1,3-thiazol-2-amine
CID 65027252
N-[1-(1-methylcyclopropyl)ethyl]-1,3-thiazol-2-amine
CID 79046980
N-(1-methoxypropan-2-yl)-1,3-thiazol-2-amine
CID 43079498
1-(1,3-thiazol-2-ylamino)propan-2-ol
CID 43392072

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-1,3-thiazol-2-amine?
The IUPAC name of N-but-3-yn-2-yl-1,3-thiazol-2-amine (CID 114417967) is N-but-3-yn-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for N-but-3-yn-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for N-but-3-yn-2-yl-1,3-thiazol-2-amine is C#CC(C)Nc1nccs1.
What is the InChIKey of N-but-3-yn-2-yl-1,3-thiazol-2-amine?
The InChIKey is LIGQGIHPVHXQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2S/c1-3-6(2)9-7-8-4-5-10-7/h1,4-6H,2H3,(H,8,9).
What are the key properties of N-but-3-yn-2-yl-1,3-thiazol-2-amine?
N-but-3-yn-2-yl-1,3-thiazol-2-amine has a molecular weight of 152.22 g/mol, XLogP of 1.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 114417967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).