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

C14H14N4OS2 — CID 973077

IUPAC5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1
InChIInChI=1S/C14H14N4OS2/c1-8-12(21-13(15)16-8)11-7-20-14(18-11)17-9-4-3-5-10(6-9)19-2/h3-7H,1-2H3,(H2,15,16)(H,17,18)
InChIKeyRKQANLPLHCTTLJ-UHFFFAOYSA-N
MW318.43 g/mol
LogP3.91
Rot. Bonds4

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

5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 973077) has the molecular formula C14H14N4OS2 and a molecular weight of 318.43 g/mol. Its IUPAC name is 5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID973077
Molecular FormulaC14H14N4OS2
Molecular Weight318.43 g/mol
Exact Mass318.06
IUPAC Name5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1
InChIInChI=1S/C14H14N4OS2/c1-8-12(21-13(15)16-8)11-7-20-14(18-11)17-9-4-3-5-10(6-9)19-2/h3-7H,1-2H3,(H2,15,16)(H,17,18)
InChIKeyRKQANLPLHCTTLJ-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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Related Compounds

5-Methoxy-2-benzothiazolamine
CID 41055
N-(5-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 655817
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
4-(4-methoxyphenyl)-N-phenyl-1,3-thiazol-2-amine
CID 698943
6-methoxy-N-(3-methoxyphenyl)-1,3-benzothiazol-2-amine
CID 7086349
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-[(3-hydroxyphenyl)amino]-4'-methyl-4,5'-bi-1,3-thiazol-2'-yl}propanamide
CID 1117200
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

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine (CID 973077) is 5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine is COc1cccc(Nc2nc(-c3sc(N)nc3C)cs2)c1.
What is the InChIKey of 5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is RKQANLPLHCTTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS2/c1-8-12(21-13(15)16-8)11-7-20-14(18-11)17-9-4-3-5-10(6-9)19-2/h3-7H,1-2H3,(H2,15,16)(H,17,18).
What are the key properties of 5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine?
5-[2-(3-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-(3-methoxyanilino)-1,3-thiazol-4-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 973077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).