6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine

C11H15N3S — CID 135232161

IUPAC6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine
SMILESCC(C)c1ncc(C2=CCCC(N)=N2)s1
InChIInChI=1S/C11H15N3S/c1-7(2)11-13-6-9(15-11)8-4-3-5-10(12)14-8/h4,6-7H,3,5H2,1-2H3,(H2,12,14)
InChIKeyWDRZSZFYAIRFNW-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.76
Rot. Bonds2

About 6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine

6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine (PubChem CID 135232161) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound Name6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine
PubChem CID135232161
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine
SMILESCC(C)c1ncc(C2=CCCC(N)=N2)s1
InChIInChI=1S/C11H15N3S/c1-7(2)11-13-6-9(15-11)8-4-3-5-10(12)14-8/h4,6-7H,3,5H2,1-2H3,(H2,12,14)
InChIKeyWDRZSZFYAIRFNW-UHFFFAOYSA-N
XLogP2.76
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.33
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine?
The IUPAC name of 6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine (CID 135232161) is 6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine.
What is the SMILES notation for 6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine?
The canonical SMILES for 6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine is CC(C)c1ncc(C2=CCCC(N)=N2)s1.
What is the InChIKey of 6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine?
The InChIKey is WDRZSZFYAIRFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-7(2)11-13-6-9(15-11)8-4-3-5-10(12)14-8/h4,6-7H,3,5H2,1-2H3,(H2,12,14).
What are the key properties of 6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine?
6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine has a molecular weight of 221.33 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-propan-2-yl-1,3-thiazol-5-yl)-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 135232161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).