6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine

C13H20N2S — CID 106225915

IUPAC6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine
SMILESCCC(N)C#CCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H20N2S/c1-5-10(14)7-6-8-12-15-11(9-16-12)13(2,3)4/h9-10H,5,8,14H2,1-4H3
InChIKeyXTTONVYQSWXNBC-UHFFFAOYSA-N
MW236.38 g/mol
LogP2.72
Rot. Bonds2

About 6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine

6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine (PubChem CID 106225915) has the molecular formula C13H20N2S and a molecular weight of 236.38 g/mol. Its IUPAC name is 6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine.

Molecular Properties

Compound Name6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine
PubChem CID106225915
Molecular FormulaC13H20N2S
Molecular Weight236.38 g/mol
Exact Mass236.13
IUPAC Name6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine
SMILESCCC(N)C#CCc1nc(C(C)(C)C)cs1
InChIInChI=1S/C13H20N2S/c1-5-10(14)7-6-8-12-15-11(9-16-12)13(2,3)4/h9-10H,5,8,14H2,1-4H3
InChIKeyXTTONVYQSWXNBC-UHFFFAOYSA-N
XLogP2.72
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.38
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-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

5-(4-tert-butyl-1,3-thiazol-2-yl)pent-3-yn-1-ol
CID 79817823
1-(4-tert-butyl-1,3-thiazol-2-yl)pentane-2,3-diol
CID 103454424
3-amino-1-(4-tert-butyl-1,3-thiazol-2-yl)butan-2-one
CID 116551747
1-[(4-tert-butyl-1,3-thiazol-2-yl)methylsulfinyl]butan-2-amine
CID 81195098
1-[4-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]phenyl]propan-1-amine
CID 79817396
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-ethylpentan-2-one
CID 115786943
2-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]butanoic acid
CID 79817832
5-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79817319
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-methoxypropan-2-amine
CID 79820516
1-(4-tert-butyl-1,3-thiazol-2-yl)-4-methylpentan-2-amine
CID 79820663
1-(4-tert-butyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-amine
CID 103312170
1-(4-tert-butyl-1,3-thiazol-2-yl)-N-(2-methylpropoxy)methanamine
CID 82714724

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine?
The IUPAC name of 6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine (CID 106225915) is 6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine.
What is the SMILES notation for 6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine?
The canonical SMILES for 6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine is CCC(N)C#CCc1nc(C(C)(C)C)cs1.
What is the InChIKey of 6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine?
The InChIKey is XTTONVYQSWXNBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S/c1-5-10(14)7-6-8-12-15-11(9-16-12)13(2,3)4/h9-10H,5,8,14H2,1-4H3.
What are the key properties of 6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine?
6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine has a molecular weight of 236.38 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-tert-butyl-1,3-thiazol-2-yl)hex-4-yn-3-amine is sourced from PubChem (CID 106225915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).