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

C15H16N4O2S2 — CID 654122

IUPAC5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1
InChIInChI=1S/C15H16N4O2S2/c1-8-13(23-14(16)17-8)11-7-22-15(19-11)18-10-6-9(20-2)4-5-12(10)21-3/h4-7H,1-3H3,(H2,16,17)(H,18,19)
InChIKeyHRKHVNBKAKFINO-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.92
Rot. Bonds5

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

5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 654122) has the molecular formula C15H16N4O2S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID654122
Molecular FormulaC15H16N4O2S2
Molecular Weight348.45 g/mol
Exact Mass348.07
IUPAC Name5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1
InChIInChI=1S/C15H16N4O2S2/c1-8-13(23-14(16)17-8)11-7-22-15(19-11)18-10-6-9(20-2)4-5-12(10)21-3/h4-7H,1-3H3,(H2,16,17)(H,18,19)
InChIKeyHRKHVNBKAKFINO-UHFFFAOYSA-N
XLogP3.92
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-(2-((2-methoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)acetamide
CID 1117189
5-(2-(2-Methoxyphenylamino)thiazol-4-yl)-4-methylthiazol-2-amine
CID 3120507
N*2*-(4-Methoxy-phenyl)-4'-methyl-[4,5']bithiazolyl-2,2'-diamine
CID 651724
(2-Methoxyphenyl)-[4-(2-thienyl)thiazol-2-yl]amine
CID 785027
N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 972358
N-{2-[(2-ethoxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}propanamide
CID 1144665
N~2~-(5-chloro-2-methoxyphenyl)-4'-methyl-4,5'-bi-1,3-thiazole-2,2'-diamine
CID 1144668
N-(2-((2,5-Dimethoxyphenyl)amino)-4'-methyl-[4,5'-bithiazol]-2'-yl)propionamide
CID 1144688
N-(2,5-dimethoxyphenyl)-4-thien-2-yl-1,3-thiazol-2-amine
CID 2902532
4-[2-(3-Methoxy-phenylamino)-thiazol-4-yl]-5-methylsulfanyl-thiophene-2-carboxamidine
CID 9951603
N-[5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]heptanamide
CID 11958451
N-[5-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
CID 11958501

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 654122) is 5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine is COc1ccc(OC)c(Nc2nc(-c3sc(N)nc3C)cs2)c1.
What is the InChIKey of 5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is HRKHVNBKAKFINO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S2/c1-8-13(23-14(16)17-8)11-7-22-15(19-11)18-10-6-9(20-2)4-5-12(10)21-3/h4-7H,1-3H3,(H2,16,17)(H,18,19).
What are the key properties of 5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 348.45 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,5-dimethoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 654122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).