2-N,2-N-diethyl-1,3-thiazole-2,4-diamine

C7H13N3S — CID 54055534

IUPAC2-N,2-N-diethyl-1,3-thiazole-2,4-diamine
SMILESCCN(CC)c1nc(N)cs1
InChIInChI=1S/C7H13N3S/c1-3-10(4-2)7-9-6(8)5-11-7/h5H,3-4,8H2,1-2H3
InChIKeyLVZDNQBEXJTAIS-UHFFFAOYSA-N
MW171.27 g/mol
LogP1.57
Rot. Bonds3

About 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine

2-N,2-N-diethyl-1,3-thiazole-2,4-diamine (PubChem CID 54055534) has the molecular formula C7H13N3S and a molecular weight of 171.27 g/mol. Its IUPAC name is 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-1,3-thiazole-2,4-diamine
PubChem CID54055534
Molecular FormulaC7H13N3S
Molecular Weight171.27 g/mol
Exact Mass171.08
IUPAC Name2-N,2-N-diethyl-1,3-thiazole-2,4-diamine
SMILESCCN(CC)c1nc(N)cs1
InChIInChI=1S/C7H13N3S/c1-3-10(4-2)7-9-6(8)5-11-7/h5H,3-4,8H2,1-2H3
InChIKeyLVZDNQBEXJTAIS-UHFFFAOYSA-N
XLogP1.57
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.27
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine (CID 54055534) is 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine is CCN(CC)c1nc(N)cs1.
What is the InChIKey of 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine?
The InChIKey is LVZDNQBEXJTAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3S/c1-3-10(4-2)7-9-6(8)5-11-7/h5H,3-4,8H2,1-2H3.
What are the key properties of 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine?
2-N,2-N-diethyl-1,3-thiazole-2,4-diamine has a molecular weight of 171.27 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 54055534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).