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

C11H10ClFN2S2 — CID 114849686

IUPAC5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCc1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2S2/c1-6-10(17-11(14)15-6)16-5-7-2-3-8(12)4-9(7)13/h2-4H,5H2,1H3,(H2,14,15)
InChIKeyGJSRDCCPJRFTFE-UHFFFAOYSA-N
MW288.80 g/mol
LogP4.12
Rot. Bonds3

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

5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 114849686) has the molecular formula C11H10ClFN2S2 and a molecular weight of 288.80 g/mol. Its IUPAC name is 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID114849686
Molecular FormulaC11H10ClFN2S2
Molecular Weight288.80 g/mol
Exact Mass288.00
IUPAC Name5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1SCc1ccc(Cl)cc1F
InChIInChI=1S/C11H10ClFN2S2/c1-6-10(17-11(14)15-6)16-5-7-2-3-8(12)4-9(7)13/h2-4H,5H2,1H3,(H2,14,15)
InChIKeyGJSRDCCPJRFTFE-UHFFFAOYSA-N
XLogP4.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.80
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazole
CID 134065458
5-(2,5-dichlorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-amine
CID 121215660
5-(2,4-dichlorophenyl)sulfanyl-4-methyl-1,3-thiazol-2-amine
CID 121215661
4-methyl-5-[(6-methyl-2-pyridinyl)methylsulfanyl]-1,3-thiazol-2-amine
CID 79267623
4-[(4-chloro-2-fluorophenyl)methylsulfanyl]-2,6-dimethylpyrimidine-5-carboxylic acid
CID 114847699
4-methyl-5-(2-phenylsulfanylethylsulfanyl)-1,3-thiazol-2-amine
CID 79222133
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
3-[(4-chloro-2-fluorophenyl)methylsulfanyl]-5-fluoroaniline
CID 114849718
5-[(3-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine
CID 24690122
4-chloro-1-[(3,4-difluorophenyl)sulfanylmethyl]-2-fluorobenzene
CID 91657414
4-chloro-2-fluoro-1-[(4-fluorophenyl)sulfanylmethyl]benzene
CID 91656407

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine (CID 114849686) is 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1SCc1ccc(Cl)cc1F.
What is the InChIKey of 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is GJSRDCCPJRFTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S2/c1-6-10(17-11(14)15-6)16-5-7-2-3-8(12)4-9(7)13/h2-4H,5H2,1H3,(H2,14,15).
What are the key properties of 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine?
5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 288.80 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-fluorophenyl)methylsulfanyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 114849686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).