2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine

C10H15N3S — CID 135233066

IUPAC2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine
SMILESCCC1C=CC(C2NC(N)=CS2)=CN1
InChIInChI=1S/C10H15N3S/c1-2-8-4-3-7(5-12-8)10-13-9(11)6-14-10/h3-6,8,10,12-13H,2,11H2,1H3
InChIKeyKBXICISXTOACGF-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.23
Rot. Bonds2

About 2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine

2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine (PubChem CID 135233066) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine.

Molecular Properties

Compound Name2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine
PubChem CID135233066
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine
SMILESCCC1C=CC(C2NC(N)=CS2)=CN1
InChIInChI=1S/C10H15N3S/c1-2-8-4-3-7(5-12-8)10-13-9(11)6-14-10/h3-6,8,10,12-13H,2,11H2,1H3
InChIKeyKBXICISXTOACGF-UHFFFAOYSA-N
XLogP1.23
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine?
The IUPAC name of 2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine (CID 135233066) is 2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine.
What is the SMILES notation for 2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine?
The canonical SMILES for 2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine is CCC1C=CC(C2NC(N)=CS2)=CN1.
What is the InChIKey of 2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine?
The InChIKey is KBXICISXTOACGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-2-8-4-3-7(5-12-8)10-13-9(11)6-14-10/h3-6,8,10,12-13H,2,11H2,1H3.
What are the key properties of 2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine?
2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine has a molecular weight of 209.32 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2-dihydropyridin-5-yl)-2,3-dihydro-1,3-thiazol-4-amine is sourced from PubChem (CID 135233066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).