4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine

C18H19N3O3S2 — CID 46942469

IUPAC4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(C(N)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-24-14-7-3-12(4-8-14)17(19)16-11-25-18(21-16)20-13-5-9-15(10-6-13)26(2,22)23/h3-11,17H,19H2,1-2H3,(H,20,21)
InChIKeyCZABFHUEZLCRCL-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.35
Rot. Bonds6

About 4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine

4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine (PubChem CID 46942469) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
PubChem CID46942469
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC Name4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccc(C(N)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-24-14-7-3-12(4-8-14)17(19)16-11-25-18(21-16)20-13-5-9-15(10-6-13)26(2,22)23/h3-11,17H,19H2,1-2H3,(H,20,21)
InChIKeyCZABFHUEZLCRCL-UHFFFAOYSA-N
XLogP3.35
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of 4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine (CID 46942469) is 4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine is COc1ccc(C(N)c2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
The InChIKey is CZABFHUEZLCRCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-24-14-7-3-12(4-8-14)17(19)16-11-25-18(21-16)20-13-5-9-15(10-6-13)26(2,22)23/h3-11,17H,19H2,1-2H3,(H,20,21).
What are the key properties of 4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine?
4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine has a molecular weight of 389.50 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[amino-(4-methoxyphenyl)methyl]-N-(4-methylsulfonylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 46942469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).