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

C15H22N2S — CID 79246171

IUPAC(4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)c1ccccc1NC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C15H22N2S/c1-10(2)12-7-5-6-8-13(12)16-15-17-14(9-18-15)11(3)4/h5-8,10-11,14H,9H2,1-4H3,(H,16,17)/t14-/m1/s1
InChIKeyJOHSJVSXQQLSRO-CQSZACIVSA-N
MW262.42 g/mol
LogP4.35
Rot. Bonds3

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

(4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79246171) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79246171
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name(4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
SMILESCC(C)c1ccccc1NC1=N[C@@H](C(C)C)CS1
InChIInChI=1S/C15H22N2S/c1-10(2)12-7-5-6-8-13(12)16-15-17-14(9-18-15)11(3)4/h5-8,10-11,14H,9H2,1-4H3,(H,16,17)/t14-/m1/s1
InChIKeyJOHSJVSXQQLSRO-CQSZACIVSA-N
XLogP4.35
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 54.35
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-phenyl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 11241486
(4S)-N-(2,3-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246681
(4S)-4-propan-2-yl-N-(3-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 79246375
(4S)-N-(2,4-dichlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246788
N-(5-iodo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114257714
(4S)-N-(4-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246372
N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009788
N-(2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177148
N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858227
(4S)-N-(2-bromo-5-chlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 81275237
(4S)-N-(2,5-dichloro-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114983249

Frequently Asked Questions

What is the IUPAC name of (4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine (CID 79246171) is (4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is CC(C)c1ccccc1NC1=N[C@@H](C(C)C)CS1.
What is the InChIKey of (4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is JOHSJVSXQQLSRO-CQSZACIVSA-N. The full InChI is InChI=1S/C15H22N2S/c1-10(2)12-7-5-6-8-13(12)16-15-17-14(9-18-15)11(3)4/h5-8,10-11,14H,9H2,1-4H3,(H,16,17)/t14-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 262.42 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-N-(2-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79246171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).