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

C14H14N4S2 — CID 3157524

IUPAC4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1
InChIInChI=1S/C14H14N4S2/c1-8-4-3-5-10(6-8)17-14-18-11(7-19-14)12-9(2)16-13(15)20-12/h3-7H,1-2H3,(H2,15,16)(H,17,18)
InChIKeyCWQXEVSCLYEPKJ-UHFFFAOYSA-N
MW302.43 g/mol
LogP4.21
Rot. Bonds3

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

4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 3157524) has the molecular formula C14H14N4S2 and a molecular weight of 302.43 g/mol. Its IUPAC name is 4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
PubChem CID3157524
Molecular FormulaC14H14N4S2
Molecular Weight302.43 g/mol
Exact Mass302.07
IUPAC Name4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCc1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1
InChIInChI=1S/C14H14N4S2/c1-8-4-3-5-10(6-8)17-14-18-11(7-19-14)12-9(2)16-13(15)20-12/h3-7H,1-2H3,(H2,15,16)(H,17,18)
InChIKeyCWQXEVSCLYEPKJ-UHFFFAOYSA-N
XLogP4.21
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.43
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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 4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (CID 3157524) is 4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is Cc1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1.
What is the InChIKey of 4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is CWQXEVSCLYEPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4S2/c1-8-4-3-5-10(6-8)17-14-18-11(7-19-14)12-9(2)16-13(15)20-12/h3-7H,1-2H3,(H2,15,16)(H,17,18).
What are the key properties of 4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 302.43 g/mol, XLogP of 4.21, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-(3-methylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 3157524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).