(4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

C12H14BrClN2S — CID 135044601

IUPAC(4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@@H]1CSC(Nc2ccc(Br)cc2Cl)=N1
InChIInChI=1S/C12H14BrClN2S/c1-7(2)11-6-17-12(16-11)15-10-4-3-8(13)5-9(10)14/h3-5,7,11H,6H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyNFIUPTRGQCTORV-NSHDSACASA-N
MW333.68 g/mol
LogP4.64
Rot. Bonds2

About (4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine

(4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 135044601) has the molecular formula C12H14BrClN2S and a molecular weight of 333.68 g/mol. Its IUPAC name is (4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID135044601
Molecular FormulaC12H14BrClN2S
Molecular Weight333.68 g/mol
Exact Mass331.97
IUPAC Name(4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@@H]1CSC(Nc2ccc(Br)cc2Cl)=N1
InChIInChI=1S/C12H14BrClN2S/c1-7(2)11-6-17-12(16-11)15-10-4-3-8(13)5-9(10)14/h3-5,7,11H,6H2,1-2H3,(H,15,16)/t11-/m0/s1
InChIKeyNFIUPTRGQCTORV-NSHDSACASA-N
XLogP4.64
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.68
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine with MolForge

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Related Compounds

(4-Bromophenyl)(4-methyl(1,3-thiazolin-2-yl))amine
CID 4607969
N-(2-chloro-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440098
N-(2-chloro-4-fluorophenyl)-4-ethyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440102
N-(2-chloro-4-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61246231
N-(4-bromo-2-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 61247410
N-(4-bromo-3-fluorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 65437375
(4S)-N-(4-bromo-2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246472
(4S)-N-(2-chloro-4-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246479
(4S)-N-(4-bromo-3-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246598
N-(2-bromo-6-chloro-4-fluorophenyl)-4-ethyl-4-methyl-5,6-dihydro-1,3-thiazin-2-amine
CID 106166837
N-(2-bromo-6-chloro-4-fluorophenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106251780
N-(2-chloro-4-fluorophenyl)-5-pentan-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 106284916

Frequently Asked Questions

What is the IUPAC name of (4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 135044601) is (4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)[C@@H]1CSC(Nc2ccc(Br)cc2Cl)=N1.
What is the InChIKey of (4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is NFIUPTRGQCTORV-NSHDSACASA-N. The full InChI is InChI=1S/C12H14BrClN2S/c1-7(2)11-6-17-12(16-11)15-10-4-3-8(13)5-9(10)14/h3-5,7,11H,6H2,1-2H3,(H,15,16)/t11-/m0/s1.
What are the key properties of (4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 333.68 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-N-(4-bromo-2-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 135044601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).