3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile

C10H15N3S — CID 62961171

IUPAC3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile
SMILESCCc1csc(N(CC)CCC#N)n1
InChIInChI=1S/C10H15N3S/c1-3-9-8-14-10(12-9)13(4-2)7-5-6-11/h8H,3-5,7H2,1-2H3
InChIKeyGAPNHKUTNNAXQL-UHFFFAOYSA-N
MW209.32 g/mol
LogP2.45
Rot. Bonds5

About 3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile

3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile (PubChem CID 62961171) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is 3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile.

Molecular Properties

Compound Name3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile
PubChem CID62961171
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC Name3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile
SMILESCCc1csc(N(CC)CCC#N)n1
InChIInChI=1S/C10H15N3S/c1-3-9-8-14-10(12-9)13(4-2)7-5-6-11/h8H,3-5,7H2,1-2H3
InChIKeyGAPNHKUTNNAXQL-UHFFFAOYSA-N
XLogP2.45
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile?
The IUPAC name of 3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile (CID 62961171) is 3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile.
What is the SMILES notation for 3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile?
The canonical SMILES for 3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile is CCc1csc(N(CC)CCC#N)n1.
What is the InChIKey of 3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile?
The InChIKey is GAPNHKUTNNAXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-3-9-8-14-10(12-9)13(4-2)7-5-6-11/h8H,3-5,7H2,1-2H3.
What are the key properties of 3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile?
3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile has a molecular weight of 209.32 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(4-ethyl-1,3-thiazol-2-yl)amino]propanenitrile is sourced from PubChem (CID 62961171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).