2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine

C10H14N4S2 — CID 122707066

IUPAC2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine
SMILESCC(C)C(Nc1nccs1)Nc1nccs1
InChIInChI=1S/C10H14N4S2/c1-7(2)8(13-9-11-3-5-15-9)14-10-12-4-6-16-10/h3-8H,1-2H3,(H,11,13)(H,12,14)
InChIKeyURWVSIDVTJKKCC-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.11
Rot. Bonds5

About 2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine

2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine (PubChem CID 122707066) has the molecular formula C10H14N4S2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine.

Molecular Properties

Compound Name2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine
PubChem CID122707066
Molecular FormulaC10H14N4S2
Molecular Weight254.38 g/mol
Exact Mass254.07
IUPAC Name2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine
SMILESCC(C)C(Nc1nccs1)Nc1nccs1
InChIInChI=1S/C10H14N4S2/c1-7(2)8(13-9-11-3-5-15-9)14-10-12-4-6-16-10/h3-8H,1-2H3,(H,11,13)(H,12,14)
InChIKeyURWVSIDVTJKKCC-UHFFFAOYSA-N
XLogP3.11
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine?
The IUPAC name of 2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine (CID 122707066) is 2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine.
What is the SMILES notation for 2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine?
The canonical SMILES for 2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine is CC(C)C(Nc1nccs1)Nc1nccs1.
What is the InChIKey of 2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine?
The InChIKey is URWVSIDVTJKKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4S2/c1-7(2)8(13-9-11-3-5-15-9)14-10-12-4-6-16-10/h3-8H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine?
2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine has a molecular weight of 254.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N,1-N'-bis(1,3-thiazol-2-yl)propane-1,1-diamine is sourced from PubChem (CID 122707066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).