aniline;ethane;1,3-thiazol-2-amine

C13H23N3S — CID 145316237

IUPACaniline;ethane;1,3-thiazol-2-amine
SMILESCC.CC.Nc1ccccc1.Nc1nccs1
InChIInChI=1S/C6H7N.C3H4N2S.2C2H6/c7-6-4-2-1-3-5-6;4-3-5-1-2-6-3;2*1-2/h1-5H,7H2;1-2H,(H2,4,5);2*1-2H3
InChIKeyFHVKUXMFLQHPNK-UHFFFAOYSA-N
MW253.41 g/mol
LogP4.05
Rot. Bonds

About aniline;ethane;1,3-thiazol-2-amine

aniline;ethane;1,3-thiazol-2-amine (PubChem CID 145316237) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is aniline;ethane;1,3-thiazol-2-amine.

Molecular Properties

Compound Nameaniline;ethane;1,3-thiazol-2-amine
PubChem CID145316237
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Nameaniline;ethane;1,3-thiazol-2-amine
SMILESCC.CC.Nc1ccccc1.Nc1nccs1
InChIInChI=1S/C6H7N.C3H4N2S.2C2H6/c7-6-4-2-1-3-5-6;4-3-5-1-2-6-3;2*1-2/h1-5H,7H2;1-2H,(H2,4,5);2*1-2H3
InChIKeyFHVKUXMFLQHPNK-UHFFFAOYSA-N
XLogP4.05
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze aniline;ethane;1,3-thiazol-2-amine 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 aniline;ethane;1,3-thiazol-2-amine?
The IUPAC name of aniline;ethane;1,3-thiazol-2-amine (CID 145316237) is aniline;ethane;1,3-thiazol-2-amine.
What is the SMILES notation for aniline;ethane;1,3-thiazol-2-amine?
The canonical SMILES for aniline;ethane;1,3-thiazol-2-amine is CC.CC.Nc1ccccc1.Nc1nccs1.
What is the InChIKey of aniline;ethane;1,3-thiazol-2-amine?
The InChIKey is FHVKUXMFLQHPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.C3H4N2S.2C2H6/c7-6-4-2-1-3-5-6;4-3-5-1-2-6-3;2*1-2/h1-5H,7H2;1-2H,(H2,4,5);2*1-2H3.
What are the key properties of aniline;ethane;1,3-thiazol-2-amine?
aniline;ethane;1,3-thiazol-2-amine has a molecular weight of 253.41 g/mol, XLogP of 4.05, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aniline;ethane;1,3-thiazol-2-amine is sourced from PubChem (CID 145316237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).