5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine

C19H20BrN3OS — CID 134501473

IUPAC5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine
SMILESCOc1ccc(Nc2nc(N(C)C)c(Cc3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C19H20BrN3OS/c1-23(2)18-17(12-13-4-6-14(20)7-5-13)25-19(22-18)21-15-8-10-16(24-3)11-9-15/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeySGIGUTMPJIITGA-UHFFFAOYSA-N
MW418.36 g/mol
LogP5.31
Rot. Bonds6

About 5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine

5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine (PubChem CID 134501473) has the molecular formula C19H20BrN3OS and a molecular weight of 418.36 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine
PubChem CID134501473
Molecular FormulaC19H20BrN3OS
Molecular Weight418.36 g/mol
Exact Mass417.05
IUPAC Name5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine
SMILESCOc1ccc(Nc2nc(N(C)C)c(Cc3ccc(Br)cc3)s2)cc1
InChIInChI=1S/C19H20BrN3OS/c1-23(2)18-17(12-13-4-6-14(20)7-5-13)25-19(22-18)21-15-8-10-16(24-3)11-9-15/h4-11H,12H2,1-3H3,(H,21,22)
InChIKeySGIGUTMPJIITGA-UHFFFAOYSA-N
XLogP5.31
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.36
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine with MolForge

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Related Compounds

4-tert-butyl-N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 57329751
4-benzyl-N-(4-methoxyphenyl)aniline
CID 175329182
4-N-(4-bromophenyl)-2-N-[(4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112892589
methyl 2-(4-bromoanilino)-4-chloro-1,3-thiazole-5-carboxylate
CID 60844908
N-(4-methoxyphenyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-2-amine
CID 677721
[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methanol
CID 58260849
4-[[6-(4-methoxyanilino)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]phenol
CID 59339164
4-tert-butyl-5-[(3,4-dimethoxyphenyl)methyl]-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 141252487
N-[5-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]butanamide
CID 43836410
2-(4-bromoanilino)-N-[(3,5-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazole-5-carboxamide
CID 24821892
2-[(4-bromophenyl)methyl-methylamino]-N-(4-methoxyphenyl)acetamide
CID 2657324
5-bromo-2-(4-methoxyanilino)cyclohepta-2,4,6-trien-1-one
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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine?
The IUPAC name of 5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine (CID 134501473) is 5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine is COc1ccc(Nc2nc(N(C)C)c(Cc3ccc(Br)cc3)s2)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine?
The InChIKey is SGIGUTMPJIITGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20BrN3OS/c1-23(2)18-17(12-13-4-6-14(20)7-5-13)25-19(22-18)21-15-8-10-16(24-3)11-9-15/h4-11H,12H2,1-3H3,(H,21,22).
What are the key properties of 5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine?
5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine has a molecular weight of 418.36 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-2-N-(4-methoxyphenyl)-4-N,4-N-dimethyl-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 134501473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).