4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine

C8H9ClN2S — CID 83152071

IUPAC4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine
SMILESC#CC(C)(C)Nc1nc(Cl)cs1
InChIInChI=1S/C8H9ClN2S/c1-4-8(2,3)11-7-10-6(9)5-12-7/h1,5H,2-3H3,(H,10,11)
InChIKeyVFWUTVQZBZJCIK-UHFFFAOYSA-N
MW200.69 g/mol
LogP2.62
Rot. Bonds2

About 4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine

4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine (PubChem CID 83152071) has the molecular formula C8H9ClN2S and a molecular weight of 200.69 g/mol. Its IUPAC name is 4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine
PubChem CID83152071
Molecular FormulaC8H9ClN2S
Molecular Weight200.69 g/mol
Exact Mass200.02
IUPAC Name4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine
SMILESC#CC(C)(C)Nc1nc(Cl)cs1
InChIInChI=1S/C8H9ClN2S/c1-4-8(2,3)11-7-10-6(9)5-12-7/h1,5H,2-3H3,(H,10,11)
InChIKeyVFWUTVQZBZJCIK-UHFFFAOYSA-N
XLogP2.62
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine (CID 83152071) is 4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine is C#CC(C)(C)Nc1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine?
The InChIKey is VFWUTVQZBZJCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2S/c1-4-8(2,3)11-7-10-6(9)5-12-7/h1,5H,2-3H3,(H,10,11).
What are the key properties of 4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine?
4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine has a molecular weight of 200.69 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-methylbut-3-yn-2-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 83152071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).