5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine

C14H13ClN4OS2 — CID 87577268

IUPAC5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1-c1sc(N)nc1-c1sc(N)nc1C
InChIInChI=1S/C14H13ClN4OS2/c1-6-11(21-13(16)18-6)10-12(22-14(17)19-10)8-5-7(15)3-4-9(8)20-2/h3-5H,1-2H3,(H2,16,18)(H2,17,19)
InChIKeyQWYACZOUSOODHX-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.07
Rot. Bonds3

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

5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 87577268) has the molecular formula C14H13ClN4OS2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID87577268
Molecular FormulaC14H13ClN4OS2
Molecular Weight352.87 g/mol
Exact Mass352.02
IUPAC Name5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(Cl)cc1-c1sc(N)nc1-c1sc(N)nc1C
InChIInChI=1S/C14H13ClN4OS2/c1-6-11(21-13(16)18-6)10-12(22-14(17)19-10)8-5-7(15)3-4-9(8)20-2/h3-5H,1-2H3,(H2,16,18)(H2,17,19)
InChIKeyQWYACZOUSOODHX-UHFFFAOYSA-N
XLogP4.07
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.07
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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Related Compounds

5-[3-(4-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-methyl-1,3-thiazol-2-amine
CID 106818781
5-(3-chloro-4-methoxyphenyl)-4-methyl-1,3-thiazol-2-amine
CID 167489856
4-chloro-6-(5-chloro-2-methoxyphenyl)-5-methylpyrimidin-2-amine
CID 86004326
3-(5-chloro-2-methoxyphenyl)-5-methylthiophen-2-amine
CID 82366084
5-bromo-2-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-amine
CID 116864286
4-(5-chloro-2-methoxyphenyl)-2-(methoxymethyl)-1,3-thiazole
CID 116969940
5-[2-amino-5-[2-ethoxy-5-(1,3-oxazol-2-yl)phenyl]-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine;hydrobromide
CID 87942247
5-(2-aminoethyl)-4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-amine
CID 39363228
5-(2-amino-4-methyl-1,3-thiazol-5-yl)-2-methoxybenzenesulfonamide
CID 154989865
4-bromo-5-(5-chloro-2-methoxyphenyl)-1,2-oxazol-3-amine
CID 79557639
5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-thiazol-2-amine
CID 82161128
4-(3-chloro-4-methoxyphenyl)-5-(3,4,5-trimethoxyphenyl)-1,3-thiazol-2-amine
CID 141384892

Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 87577268) is 5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine is COc1ccc(Cl)cc1-c1sc(N)nc1-c1sc(N)nc1C.
What is the InChIKey of 5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is QWYACZOUSOODHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4OS2/c1-6-11(21-13(16)18-6)10-12(22-14(17)19-10)8-5-7(15)3-4-9(8)20-2/h3-5H,1-2H3,(H2,16,18)(H2,17,19).
What are the key properties of 5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 352.87 g/mol, XLogP of 4.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-5-(5-chloro-2-methoxyphenyl)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 87577268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).