4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine

C12H12ClFN2S — CID 62942920

IUPAC4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C12H12ClFN2S/c1-7(2)15-12-16-11(6-17-12)8-3-4-10(14)9(13)5-8/h3-7H,1-2H3,(H,15,16)
InChIKeyUHQYCUNXQXPCNG-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.42
Rot. Bonds3

About 4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine

4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine (PubChem CID 62942920) has the molecular formula C12H12ClFN2S and a molecular weight of 270.76 g/mol. Its IUPAC name is 4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
PubChem CID62942920
Molecular FormulaC12H12ClFN2S
Molecular Weight270.76 g/mol
Exact Mass270.04
IUPAC Name4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
SMILESCC(C)Nc1nc(-c2ccc(F)c(Cl)c2)cs1
InChIInChI=1S/C12H12ClFN2S/c1-7(2)15-12-16-11(6-17-12)8-3-4-10(14)9(13)5-8/h3-7H,1-2H3,(H,15,16)
InChIKeyUHQYCUNXQXPCNG-UHFFFAOYSA-N
XLogP4.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-chlorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878374
4-(3-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 60675825
4-(3,4-dimethylphenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878327
4-(3-chloro-4-fluorophenyl)-2-methyl-1,3-thiazole
CID 116967860
4-(4-iodophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 103601292
1-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]ethanone
CID 63524922
4-(3-bromophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 8878385
4-(3-chloro-4-fluorophenyl)-1,3-thiazole-2-carboxylic acid
CID 79566531
N-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]-2-fluorobenzamide
CID 47072656
4-(4-bromo-2-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine
CID 82963289
4-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]benzoic acid
CID 59807342
3-[4-(3-chloro-4-fluorophenyl)-1,3-thiazol-2-yl]pentan-3-amine
CID 61337081

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine (CID 62942920) is 4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine is CC(C)Nc1nc(-c2ccc(F)c(Cl)c2)cs1.
What is the InChIKey of 4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
The InChIKey is UHQYCUNXQXPCNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClFN2S/c1-7(2)15-12-16-11(6-17-12)8-3-4-10(14)9(13)5-8/h3-7H,1-2H3,(H,15,16).
What are the key properties of 4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine?
4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine has a molecular weight of 270.76 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-4-fluorophenyl)-N-propan-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 62942920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).