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

C11H10ClFN2S — CID 43637228

IUPAC5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2S/c1-6-10(16-11(14)15-6)5-7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H2,14,15)
InChIKeyWWTGKITUTAFHCO-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.42
Rot. Bonds2

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

5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 43637228) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID43637228
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1nc(N)sc1Cc1ccc(F)c(Cl)c1
InChIInChI=1S/C11H10ClFN2S/c1-6-10(16-11(14)15-6)5-7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H2,14,15)
InChIKeyWWTGKITUTAFHCO-UHFFFAOYSA-N
XLogP3.42
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-5-(naphthalen-2-ylmethyl)-1,3-thiazol-2-amine
CID 43637199
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine
CID 43637201
4-methyl-5-[(2,3,4-trifluorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 86811771
5-[(4-fluoro-3-methylphenyl)methyl]-4-propan-2-yl-1,3-thiazol-2-amine
CID 55118846
4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]benzamide
CID 83969989
5-[(2-chloro-6-methylphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 66250186
2-[4-[(2-amino-4-methyl-1,3-thiazol-5-yl)methyl]phenyl]acetic acid
CID 83969992
5-[(3-chloro-4-methylphenyl)methyl]-4-cyclopropyl-1,3-thiazol-2-amine
CID 62065732
4-methyl-5-[(2,3,4,5,6-pentafluorophenyl)methyl]-1,3-thiazol-2-amine
CID 115564800
5-[(4-chlorophenyl)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 82054667
4-tert-butyl-5-[(4-chlorophenyl)methyl]-1,3-thiazol-2-amine;hydrobromide
CID 141216793
5-(aminomethyl)-4-methyl-1,3-thiazol-2-amine
CID 24820452

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of 5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine (CID 43637228) is 5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine is Cc1nc(N)sc1Cc1ccc(F)c(Cl)c1.
What is the InChIKey of 5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is WWTGKITUTAFHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-6-10(16-11(14)15-6)5-7-2-3-9(13)8(12)4-7/h2-4H,5H2,1H3,(H2,14,15).
What are the key properties of 5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine?
5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 256.73 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chloro-4-fluorophenyl)methyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 43637228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).