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

C12H16N2S — CID 11241486

IUPAC(4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(Nc2ccccc2)=N1
InChIInChI=1S/C12H16N2S/c1-9(2)11-8-15-12(14-11)13-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)/t11-/m1/s1
InChIKeyMHIYMLUWNQJPNE-LLVKDONJSA-N
MW220.34 g/mol
LogP3.23
Rot. Bonds2

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

(4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 11241486) has the molecular formula C12H16N2S and a molecular weight of 220.34 g/mol. Its IUPAC name is (4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID11241486
Molecular FormulaC12H16N2S
Molecular Weight220.34 g/mol
Exact Mass220.10
IUPAC Name(4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)[C@H]1CSC(Nc2ccccc2)=N1
InChIInChI=1S/C12H16N2S/c1-9(2)11-8-15-12(14-11)13-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)/t11-/m1/s1
InChIKeyMHIYMLUWNQJPNE-LLVKDONJSA-N
XLogP3.23
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol
CID 135044101
(4S)-4-propan-2-yl-N-(3-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 79246375
4-[[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]amino]benzamide
CID 79245948
(4S)-4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-thiazol-2-amine
CID 79246569
N-(3,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857701
(4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 79246171
(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247207
(4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247001
N-[3-(1,3-dioxolan-2-yl)phenyl]-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858209
(4S)-N-(3-bromo-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246393
(4S)-N-(2,3-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246681
4-propan-2-yl-N-(2,4,6-tribromophenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107857577

Frequently Asked Questions

What is the IUPAC name of (4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 11241486) is (4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CC(C)[C@H]1CSC(Nc2ccccc2)=N1.
What is the InChIKey of (4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is MHIYMLUWNQJPNE-LLVKDONJSA-N. The full InChI is InChI=1S/C12H16N2S/c1-9(2)11-8-15-12(14-11)13-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,14)/t11-/m1/s1.
What are the key properties of (4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 220.34 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 11241486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).