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

C17H19N3OS2 — CID 157374946

IUPAC4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1-c1nc(Cc2ccccc2OC)sc1C
InChIInChI=1S/C17H19N3OS2/c1-4-12-16(23-17(18)19-12)15-10(2)22-14(20-15)9-11-7-5-6-8-13(11)21-3/h5-8H,4,9H2,1-3H3,(H2,18,19)
InChIKeyBKFGRDDFQKHNNX-UHFFFAOYSA-N
MW345.49 g/mol
LogP4.32
Rot. Bonds5

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

4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (PubChem CID 157374946) has the molecular formula C17H19N3OS2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
PubChem CID157374946
Molecular FormulaC17H19N3OS2
Molecular Weight345.49 g/mol
Exact Mass345.10
IUPAC Name4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine
SMILESCCc1nc(N)sc1-c1nc(Cc2ccccc2OC)sc1C
InChIInChI=1S/C17H19N3OS2/c1-4-12-16(23-17(18)19-12)15-10(2)22-14(20-15)9-11-7-5-6-8-13(11)21-3/h5-8H,4,9H2,1-3H3,(H2,18,19)
InChIKeyBKFGRDDFQKHNNX-UHFFFAOYSA-N
XLogP4.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine with MolForge

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Related Compounds

[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]methanol
CID 117098962
2-[4-ethyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]propan-2-amine
CID 82428416
(E)-3-[4-ethyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazol-5-yl]prop-2-enoic acid
CID 82428418
4-butyl-2-[(2-methoxyphenyl)methyl]-1,3-thiazole-5-carboxylic acid
CID 82227157
[2-[(2-methoxyphenyl)methyl]-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 82433800
2-[(2-methoxyphenyl)methyl]-6,7-dihydro-5H-1,3-benzothiazol-4-one
CID 64975723
2-[2-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-5-yl]acetic acid
CID 64661687
2-[(2-methoxyphenyl)methyl]-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one
CID 62089905
5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 43250689
5-[(2,3-dimethoxyphenyl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 82186056
5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 6486679
4-ethyl-5-[(2-propan-2-ylphenyl)methyl]-1,3-thiazol-2-amine
CID 62066653

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The IUPAC name of 4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine (CID 157374946) is 4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is CCc1nc(N)sc1-c1nc(Cc2ccccc2OC)sc1C.
What is the InChIKey of 4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
The InChIKey is BKFGRDDFQKHNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS2/c1-4-12-16(23-17(18)19-12)15-10(2)22-14(20-15)9-11-7-5-6-8-13(11)21-3/h5-8H,4,9H2,1-3H3,(H2,18,19).
What are the key properties of 4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine?
4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine has a molecular weight of 345.49 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-[2-[(2-methoxyphenyl)methyl]-5-methyl-1,3-thiazol-4-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 157374946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).