2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine

C9H17N3S — CID 91505689

IUPAC2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine
SMILESCCCN(CCC)c1ncc(N)s1
InChIInChI=1S/C9H17N3S/c1-3-5-12(6-4-2)9-11-7-8(10)13-9/h7H,3-6,10H2,1-2H3
InChIKeyXYDXLZNQKHEOCT-UHFFFAOYSA-N
MW199.32 g/mol
LogP2.35
Rot. Bonds5

About 2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine

2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine (PubChem CID 91505689) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine.

Molecular Properties

Compound Name2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine
PubChem CID91505689
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine
SMILESCCCN(CCC)c1ncc(N)s1
InChIInChI=1S/C9H17N3S/c1-3-5-12(6-4-2)9-11-7-8(10)13-9/h7H,3-6,10H2,1-2H3
InChIKeyXYDXLZNQKHEOCT-UHFFFAOYSA-N
XLogP2.35
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine?
The IUPAC name of 2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine (CID 91505689) is 2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine.
What is the SMILES notation for 2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine?
The canonical SMILES for 2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine is CCCN(CCC)c1ncc(N)s1.
What is the InChIKey of 2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine?
The InChIKey is XYDXLZNQKHEOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-3-5-12(6-4-2)9-11-7-8(10)13-9/h7H,3-6,10H2,1-2H3.
What are the key properties of 2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine?
2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine has a molecular weight of 199.32 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dipropyl-1,3-thiazole-2,5-diamine is sourced from PubChem (CID 91505689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).