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

C12H14BrClN2S — CID 81275237

IUPAC(4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(Nc2cc(Cl)ccc2Br)=N1
InChIInChI=1S/C12H14BrClN2S/c1-7(2)11-6-17-12(16-11)15-10-5-8(14)3-4-9(10)13/h3-5,7,11H,6H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyOJADOQONHURSMC-LLVKDONJSA-N
MW333.68 g/mol
LogP4.64
Rot. Bonds2

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

(4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 81275237) has the molecular formula C12H14BrClN2S and a molecular weight of 333.68 g/mol. Its IUPAC name is (4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID81275237
Molecular FormulaC12H14BrClN2S
Molecular Weight333.68 g/mol
Exact Mass331.97
IUPAC Name(4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(Nc2cc(Cl)ccc2Br)=N1
InChIInChI=1S/C12H14BrClN2S/c1-7(2)11-6-17-12(16-11)15-10-5-8(14)3-4-9(10)13/h3-5,7,11H,6H2,1-2H3,(H,15,16)/t11-/m1/s1
InChIKeyOJADOQONHURSMC-LLVKDONJSA-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

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Related Compounds

(4S)-N-(2,4-dichlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246788
N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858227
N-(2-bromo-5-chloro-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858130
N-(2-bromo-5-chlorophenyl)-4-phenyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81275549
N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009788
4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107857577
(4S)-N-(2,5-dichloro-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114983249
(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247207
(4S)-N-(3-bromo-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246393
N-(2-bromo-4-chlorophenyl)-4-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 81274735
(4S)-N-(4-bromo-3-methoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 82859403
(4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246370

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 81275237) is (4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)[C@H]1CSC(Nc2cc(Cl)ccc2Br)=N1.
What is the InChIKey of (4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is OJADOQONHURSMC-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14BrClN2S/c1-7(2)11-6-17-12(16-11)15-10-5-8(14)3-4-9(10)13/h3-5,7,11H,6H2,1-2H3,(H,15,16)/t11-/m1/s1.
What are the key properties of (4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(2-bromo-5-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 (4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 81275237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).