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

C13H14ClFN2S — CID 54980335

IUPAC(4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)c1csc(C(N)c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C13H14ClFN2S/c1-7(2)11-6-18-13(17-11)12(16)8-3-4-9(14)10(15)5-8/h3-7,12H,16H2,1-2H3
InChIKeyHJOAKFGZLHWLGO-UHFFFAOYSA-N
MW284.79 g/mol
LogP4.11
Rot. Bonds3

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

(4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (PubChem CID 54980335) has the molecular formula C13H14ClFN2S and a molecular weight of 284.79 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
PubChem CID54980335
Molecular FormulaC13H14ClFN2S
Molecular Weight284.79 g/mol
Exact Mass284.06
IUPAC Name(4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
SMILESCC(C)c1csc(C(N)c2ccc(Cl)c(F)c2)n1
InChIInChI=1S/C13H14ClFN2S/c1-7(2)11-6-18-13(17-11)12(16)8-3-4-9(14)10(15)5-8/h3-7,12H,16H2,1-2H3
InChIKeyHJOAKFGZLHWLGO-UHFFFAOYSA-N
XLogP4.11
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-propan-2-yl-1,3-thiazol-2-yl)-(3,4,5-trifluorophenyl)methanamine
CID 55146785
(3-bromo-4-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 105402306
(4-methoxy-3-methylphenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 62133738
4-[amino-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-N,N-dimethylaniline
CID 61330087
(4-chloro-3-fluorophenyl)-(3,4-dichlorophenyl)methanamine
CID 107991698
(4-propan-2-yl-1,3-thiazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 61330086
(2,3-dichlorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61330680
(4-chloro-3-fluorophenyl)-(3,4-difluorophenyl)methanamine
CID 114025088
(4-chloro-3-fluorophenyl)-(3-fluoro-4-methylphenyl)methanamine
CID 107996089
(R)-(4-chloro-3-fluorophenyl)-thiophen-3-ylmethanamine
CID 171229047
(5-bromothiophen-2-yl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61347398
1-(3-bromo-4-fluorophenyl)-N-methyl-1-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine
CID 61332525

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The IUPAC name of (4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine (CID 54980335) is (4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The canonical SMILES for (4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is CC(C)c1csc(C(N)c2ccc(Cl)c(F)c2)n1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
The InChIKey is HJOAKFGZLHWLGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClFN2S/c1-7(2)11-6-18-13(17-11)12(16)8-3-4-9(14)10(15)5-8/h3-7,12H,16H2,1-2H3.
What are the key properties of (4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine?
(4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine has a molecular weight of 284.79 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-fluorophenyl)-(4-propan-2-yl-1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 54980335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).