(4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C12H14ClFN2S — CID 114985896

IUPAC(4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(Nc2c(F)cccc2Cl)=N1
InChIInChI=1S/C12H14ClFN2S/c1-7(2)10-6-17-12(15-10)16-11-8(13)4-3-5-9(11)14/h3-5,7,10H,6H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyRPDXLXSQIWSLOS-SNVBAGLBSA-N
MW272.78 g/mol
LogP4.02
Rot. Bonds2

About (4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

(4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 114985896) has the molecular formula C12H14ClFN2S and a molecular weight of 272.78 g/mol. Its IUPAC name is (4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID114985896
Molecular FormulaC12H14ClFN2S
Molecular Weight272.78 g/mol
Exact Mass272.06
IUPAC Name(4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(Nc2c(F)cccc2Cl)=N1
InChIInChI=1S/C12H14ClFN2S/c1-7(2)10-6-17-12(15-10)16-11-8(13)4-3-5-9(11)14/h3-5,7,10H,6H2,1-2H3,(H,15,16)/t10-/m1/s1
InChIKeyRPDXLXSQIWSLOS-SNVBAGLBSA-N
XLogP4.02
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247207
(4S)-N-(2,3,4,5,6-pentafluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 115564682
(4S)-N-(2,4-dichlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246788
(4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 11241486
N-(2,6-dichlorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 65499811
(4S)-N-(2,3-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246681
(4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 81275237
N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858227
(4S)-4-propan-2-yl-N-(3-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 79246375
(4S)-N-(2,5-dichloro-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114983249
(4S)-N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246372
3-fluoro-4-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 107858075

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 114985896) is (4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)[C@H]1CSC(Nc2c(F)cccc2Cl)=N1.
What is the InChIKey of (4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is RPDXLXSQIWSLOS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H14ClFN2S/c1-7(2)10-6-17-12(15-10)16-11-8(13)4-3-5-9(11)14/h3-5,7,10H,6H2,1-2H3,(H,15,16)/t10-/m1/s1.
What are the key properties of (4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 272.78 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-chloro-6-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 114985896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).