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

C12H14N2OS2 — CID 24690122

IUPAC5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(CSc2sc(N)nc2C)c1
InChIInChI=1S/C12H14N2OS2/c1-8-11(17-12(13)14-8)16-7-9-4-3-5-10(6-9)15-2/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyXBISUGIMMOEMBE-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.33
Rot. Bonds4

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

5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 24690122) has the molecular formula C12H14N2OS2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID24690122
Molecular FormulaC12H14N2OS2
Molecular Weight266.39 g/mol
Exact Mass266.05
IUPAC Name5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCOc1cccc(CSc2sc(N)nc2C)c1
InChIInChI=1S/C12H14N2OS2/c1-8-11(17-12(13)14-8)16-7-9-4-3-5-10(6-9)15-2/h3-6H,7H2,1-2H3,(H2,13,14)
InChIKeyXBISUGIMMOEMBE-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

4-methyl-5-[(3-nitrophenyl)methylsulfanyl]-1,3-thiazol-2-amine
CID 24700555
4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
CID 79267623
2-[(3-methoxyphenyl)methylsulfanyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 1451575
5-[(3-methoxyphenyl)methylsulfanyl]pyridin-2-amine
CID 43302210
4-amino-2-[(3-methoxyphenyl)methylsulfanyl]-1H-pyrimidin-6-one
CID 135463640
(3-methoxyphenyl)methyl thiohypochlorite
CID 153381003
5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 114849686
5-[(3-methoxyphenyl)methylsulfanyl]-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 17445210
[4-ethyl-5-[(3-methoxyphenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methanamine
CID 63313629
5-[(3-methoxyphenyl)methoxymethyl]-1,3,4-thiadiazol-2-amine
CID 80608923
[4-[(3-methoxyphenyl)sulfanylmethyl]-2-pyridinyl]methanamine
CID 63883446
2-[(3-methoxyphenyl)methylsulfanyl]-5,7-dihydro-3H-thieno[3,4-d]pyrimidin-4-one
CID 136684088

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine (CID 24690122) is 5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine is COc1cccc(CSc2sc(N)nc2C)c1.
What is the InChIKey of 5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is XBISUGIMMOEMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS2/c1-8-11(17-12(13)14-8)16-7-9-4-3-5-10(6-9)15-2/h3-6H,7H2,1-2H3,(H2,13,14).
What are the key properties of 5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
5-[(3-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-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 24690122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).