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

C12H14N2OS2 — CID 43250689

IUPAC5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccccc1CSc1sc(N)nc1C
InChIInChI=1S/C12H14N2OS2/c1-8-11(17-12(13)14-8)16-7-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyRSYAJEJRVNCPPW-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.33
Rot. Bonds4

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

5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 43250689) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID43250689
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1ccccc1CSc1sc(N)nc1C
InChIInChI=1S/C12H14N2OS2/c1-8-11(17-12(13)14-8)16-7-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyRSYAJEJRVNCPPW-UHFFFAOYSA-N
XLogP3.33
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]benzohydrazide
CID 63582368
2-[2-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]phenyl]acetohydrazide
CID 115465721
5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 24690122
4-methyl-5-(pyrimidin-2-ylmethylsulfanyl)-1,3-thiazol-2-amine
CID 62698614
4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine
CID 79222133
5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 114849686
1-[3-[(2-amino-4-methyl-1,3-thiazol-5-yl)sulfanylmethyl]-4-ethoxyphenyl]ethanone
CID 43250419
5-[2-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 6486679
6-[(2-methoxyphenyl)methylsulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17409436
2-[(2-methoxyphenyl)methylsulfanyl]-1H-benzimidazole
CID 752044
5-[(2-bromo-4-nitrophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 60791058
5-(2-methoxynaphthalen-1-yl)-4-methyl-1,3-thiazol-2-amine
CID 82161128

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine (CID 43250689) is 5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine is COc1ccccc1CSc1sc(N)nc1C.
What is the InChIKey of 5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is RSYAJEJRVNCPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-8-11(17-12(13)14-8)16-7-9-5-3-4-6-10(9)15-2/h3-6H,7H2,1-2H3,(H2,13,14).
What are the key properties of 5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43250689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).