2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine

C9H17N3S — CID 65232884

IUPAC2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
SMILESCCC(CN)CNCc1nccs1
InChIInChI=1S/C9H17N3S/c1-2-8(5-10)6-11-7-9-12-3-4-13-9/h3-4,8,11H,2,5-7,10H2,1H3
InChIKeySVHBUEPOEBKAIK-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.22
Rot. Bonds6

About 2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine

2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine (PubChem CID 65232884) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
PubChem CID65232884
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine
SMILESCCC(CN)CNCc1nccs1
InChIInChI=1S/C9H17N3S/c1-2-8(5-10)6-11-7-9-12-3-4-13-9/h3-4,8,11H,2,5-7,10H2,1H3
InChIKeySVHBUEPOEBKAIK-UHFFFAOYSA-N
XLogP1.22
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
The IUPAC name of 2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine (CID 65232884) is 2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine.
What is the SMILES notation for 2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
The canonical SMILES for 2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine is CCC(CN)CNCc1nccs1.
What is the InChIKey of 2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
The InChIKey is SVHBUEPOEBKAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-2-8(5-10)6-11-7-9-12-3-4-13-9/h3-4,8,11H,2,5-7,10H2,1H3.
What are the key properties of 2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine?
2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine has a molecular weight of 199.32 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N'-(1,3-thiazol-2-ylmethyl)propane-1,3-diamine is sourced from PubChem (CID 65232884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).