2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine

C10H20N4S — CID 174031718

IUPAC2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine
SMILESCCC(C)[C@H](C)[C@H](C)Nc1nnc(N)s1
InChIInChI=1S/C10H20N4S/c1-5-6(2)7(3)8(4)12-10-14-13-9(11)15-10/h6-8H,5H2,1-4H3,(H2,11,13)(H,12,14)/t6?,7-,8-/m0/s1
InChIKeyTWYZVOKTJWXEDJ-ALKRTJFJSA-N
MW228.36 g/mol
LogP2.60
Rot. Bonds5

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

2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine (PubChem CID 174031718) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is 2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine
PubChem CID174031718
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC Name2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine
SMILESCCC(C)[C@H](C)[C@H](C)Nc1nnc(N)s1
InChIInChI=1S/C10H20N4S/c1-5-6(2)7(3)8(4)12-10-14-13-9(11)15-10/h6-8H,5H2,1-4H3,(H2,11,13)(H,12,14)/t6?,7-,8-/m0/s1
InChIKeyTWYZVOKTJWXEDJ-ALKRTJFJSA-N
XLogP2.60
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine (CID 174031718) is 2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine is CCC(C)[C@H](C)[C@H](C)Nc1nnc(N)s1.
What is the InChIKey of 2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is TWYZVOKTJWXEDJ-ALKRTJFJSA-N. The full InChI is InChI=1S/C10H20N4S/c1-5-6(2)7(3)8(4)12-10-14-13-9(11)15-10/h6-8H,5H2,1-4H3,(H2,11,13)(H,12,14)/t6?,7-,8-/m0/s1.
What are the key properties of 2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine?
2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 228.36 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2S,3S)-3,4-dimethylhexan-2-yl]-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 174031718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).