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

C11H10ClFN2S — CID 83156203

IUPAC4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1ccc(F)cc1)c1nc(Cl)cs1
InChIInChI=1S/C11H10ClFN2S/c1-15(11-14-10(12)7-16-11)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3
InChIKeyJIBLNRMKJKGIRV-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.57
Rot. Bonds3

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

4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine (PubChem CID 83156203) has the molecular formula C11H10ClFN2S and a molecular weight of 256.73 g/mol. Its IUPAC name is 4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
PubChem CID83156203
Molecular FormulaC11H10ClFN2S
Molecular Weight256.73 g/mol
Exact Mass256.02
IUPAC Name4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
SMILESCN(Cc1ccc(F)cc1)c1nc(Cl)cs1
InChIInChI=1S/C11H10ClFN2S/c1-15(11-14-10(12)7-16-11)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3
InChIKeyJIBLNRMKJKGIRV-UHFFFAOYSA-N
XLogP3.57
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(2-chlorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine
CID 83156449
4-chloro-N-methyl-N-[(6-methyl-2-pyridinyl)methyl]-1,3-thiazol-2-amine
CID 83155755
4-chloro-N,N-dimethyl-1,3-thiazol-2-amine
CID 68840678
6-chloro-N-[(4-fluorophenyl)methyl]-N-methylpyrazin-2-amine
CID 54943226
2-[[4-[[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-methylamino]methyl]benzoyl]amino]propanoic acid
CID 23879499
N-[[4-(chloromethyl)-1,3-thiazol-2-yl]methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 61413078
4-[(4-chloro-1,3-thiazol-2-yl)-methylamino]butanoic acid
CID 83153680
N-[(6-chloro-3-pyridinyl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 60719313
4-chloro-N-(2-fluorophenyl)-N-methyl-1,3-thiazol-2-amine
CID 83156953
2-chloro-1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone
CID 113392189
6-chloro-2-cyclopropyl-N-[(4-fluorophenyl)methyl]-N-methylpyrimidin-4-amine
CID 80953931
1-[2-[methyl-[(4-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]ethanone
CID 64544213

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine (CID 83156203) is 4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine is CN(Cc1ccc(F)cc1)c1nc(Cl)cs1.
What is the InChIKey of 4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
The InChIKey is JIBLNRMKJKGIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2S/c1-15(11-14-10(12)7-16-11)6-8-2-4-9(13)5-3-8/h2-5,7H,6H2,1H3.
What are the key properties of 4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine?
4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine has a molecular weight of 256.73 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-fluorophenyl)methyl]-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 83156203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).