5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine

C12H12Br2N2OS — CID 103416442

IUPAC5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cc(Cc2sc(N)nc2C)c(Br)cc1Br
InChIInChI=1S/C12H12Br2N2OS/c1-6-11(18-12(15)16-6)4-7-3-10(17-2)9(14)5-8(7)13/h3,5H,4H2,1-2H3,(H2,15,16)
InChIKeyNFYWSJGEMBBNEE-UHFFFAOYSA-N
MW392.12 g/mol
LogP4.16
Rot. Bonds3

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

5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 103416442) has the molecular formula C12H12Br2N2OS and a molecular weight of 392.12 g/mol. Its IUPAC name is 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID103416442
Molecular FormulaC12H12Br2N2OS
Molecular Weight392.12 g/mol
Exact Mass389.90
IUPAC Name5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cc(Cc2sc(N)nc2C)c(Br)cc1Br
InChIInChI=1S/C12H12Br2N2OS/c1-6-11(18-12(15)16-6)4-7-3-10(17-2)9(14)5-8(7)13/h3,5H,4H2,1-2H3,(H2,15,16)
InChIKeyNFYWSJGEMBBNEE-UHFFFAOYSA-N
XLogP4.16
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.12
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(2-bromo-4-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 43637240
5-[(2,4-dibromo-5-methoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 103416449
5-[(2-bromo-5-methylphenyl)methyl]-4-tert-butyl-1,3-thiazol-2-amine
CID 82766257
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 43637201
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 86811771
5-(aminomethyl)-4-methyl-1,3-thiazol-2-amine
CID 24820452
5-[(2-bromo-5-fluorophenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 107626944
[5-[(2,4-dimethoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-yl]methanamine
CID 83970160
4-methyl-5-(quinolin-8-ylmethyl)-1,3-thiazol-2-amine
CID 43637194
4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine
CID 115564800
4-methyl-5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
CID 43637199
4-(5-bromo-2,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 3757650

Frequently Asked Questions

What is the IUPAC name of 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 103416442) is 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine is COc1cc(Cc2sc(N)nc2C)c(Br)cc1Br.
What is the InChIKey of 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is NFYWSJGEMBBNEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N2OS/c1-6-11(18-12(15)16-6)4-7-3-10(17-2)9(14)5-8(7)13/h3,5H,4H2,1-2H3,(H2,15,16).
What are the key properties of 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 392.12 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,4-dibromo-5-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 103416442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).