4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine

C11H15N3S — CID 79044170

IUPAC4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2cccnc2C)=N1
InChIInChI=1S/C11H15N3S/c1-3-9-7-15-11(13-9)14-10-5-4-6-12-8(10)2/h4-6,9H,3,7H2,1-2H3,(H,13,14)
InChIKeyAWENZXUWZSKPKX-UHFFFAOYSA-N
MW221.33 g/mol
LogP2.68
Rot. Bonds2

About 4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine

4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79044170) has the molecular formula C11H15N3S and a molecular weight of 221.33 g/mol. Its IUPAC name is 4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79044170
Molecular FormulaC11H15N3S
Molecular Weight221.33 g/mol
Exact Mass221.10
IUPAC Name4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCC1CSC(Nc2cccnc2C)=N1
InChIInChI=1S/C11H15N3S/c1-3-9-7-15-11(13-9)14-10-5-4-6-12-8(10)2/h4-6,9H,3,7H2,1-2H3,(H,13,14)
InChIKeyAWENZXUWZSKPKX-UHFFFAOYSA-N
XLogP2.68
TPSA37.28 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 ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 79044170) is 4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine is CCC1CSC(Nc2cccnc2C)=N1.
What is the InChIKey of 4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is AWENZXUWZSKPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3S/c1-3-9-7-15-11(13-9)14-10-5-4-6-12-8(10)2/h4-6,9H,3,7H2,1-2H3,(H,13,14).
What are the key properties of 4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine?
4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 221.33 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79044170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).