5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine

C8H11N5S2 — CID 66279886

IUPAC5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCCC(Nc1nc(N)ns1)c1nccs1
InChIInChI=1S/C8H11N5S2/c1-2-5(6-10-3-4-14-6)11-8-12-7(9)13-15-8/h3-5H,2H2,1H3,(H3,9,11,12,13)
InChIKeyYZBFYYKVVUAENI-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.14
Rot. Bonds4

About 5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine

5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine (PubChem CID 66279886) has the molecular formula C8H11N5S2 and a molecular weight of 241.34 g/mol. Its IUPAC name is 5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine.

Molecular Properties

Compound Name5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
PubChem CID66279886
Molecular FormulaC8H11N5S2
Molecular Weight241.34 g/mol
Exact Mass241.05
IUPAC Name5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine
SMILESCCC(Nc1nc(N)ns1)c1nccs1
InChIInChI=1S/C8H11N5S2/c1-2-5(6-10-3-4-14-6)11-8-12-7(9)13-15-8/h3-5H,2H2,1H3,(H3,9,11,12,13)
InChIKeyYZBFYYKVVUAENI-UHFFFAOYSA-N
XLogP2.14
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine with MolForge

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

Launch Full Analysis

Related Compounds

4-chloro-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazol-2-amine
CID 83153505
5-N-butan-2-yl-1,2,4-thiadiazole-3,5-diamine
CID 66279643
[(1S)-1-(1,3-thiazol-2-yl)propyl]hydrazine
CID 124537574
4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80837709
4-N-[1-(1,3-thiazol-2-yl)propyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106772193
2-ethyl-4-N-[1-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 80941375
4-chloro-2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carbonitrile
CID 106595608
6-N-[1-(1,3-thiazol-2-yl)propyl]-7H-purine-2,6-diamine
CID 114785367
6-pyrazol-1-yl-2-N-[1-(1,3-thiazol-2-yl)propyl]-1,3,5-triazine-2,4-diamine
CID 80824466
2-[1-(1,3-thiazol-2-yl)propylamino]-1,3-thiazole-5-carboxylic acid
CID 80572399
4-[4-[1-(1,3-thiazol-2-yl)propylamino]butan-2-yl]aniline
CID 104501708
2-amino-3-fluoro-6-[1-(1,3-thiazol-2-yl)propylamino]benzoic acid
CID 83207195

Frequently Asked Questions

What is the IUPAC name of 5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine?
The IUPAC name of 5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine (CID 66279886) is 5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine.
What is the SMILES notation for 5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine?
The canonical SMILES for 5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine is CCC(Nc1nc(N)ns1)c1nccs1.
What is the InChIKey of 5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine?
The InChIKey is YZBFYYKVVUAENI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5S2/c1-2-5(6-10-3-4-14-6)11-8-12-7(9)13-15-8/h3-5H,2H2,1H3,(H3,9,11,12,13).
What are the key properties of 5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine?
5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine has a molecular weight of 241.34 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[1-(1,3-thiazol-2-yl)propyl]-1,2,4-thiadiazole-3,5-diamine is sourced from PubChem (CID 66279886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).