5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine

C14H14N4OS2 — CID 651724

IUPAC5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1
InChIInChI=1S/C14H14N4OS2/c1-8-12(21-13(15)16-8)11-7-20-14(18-11)17-9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H2,15,16)(H,17,18)
InChIKeyYAHYIQKRLNMFDC-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.91
Rot. Bonds4

About 5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine

5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 651724) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID651724
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1
InChIInChI=1S/C14H14N4OS2/c1-8-12(21-13(15)16-8)11-7-20-14(18-11)17-9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H2,15,16)(H,17,18)
InChIKeyYAHYIQKRLNMFDC-UHFFFAOYSA-N
XLogP3.91
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.43
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazole_amine_A(4)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 651724) is 5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine is COc1ccc(Nc2nc(-c3sc(N)nc3C)cs2)cc1.
What is the InChIKey of 5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is YAHYIQKRLNMFDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-8-12(21-13(15)16-8)11-7-20-14(18-11)17-9-3-5-10(19-2)6-4-9/h3-7H,1-2H3,(H2,15,16)(H,17,18).
What are the key properties of 5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 318.43 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 651724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).