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

C14H20N2S — CID 79246370

IUPAC(4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(C)c(NC2=N[C@@H](C(C)C)CS2)c1
InChIInChI=1S/C14H20N2S/c1-9(2)13-8-17-14(16-13)15-12-7-10(3)5-6-11(12)4/h5-7,9,13H,8H2,1-4H3,(H,15,16)/t13-/m1/s1
InChIKeyCWKOMDWYORIHGQ-CYBMUJFWSA-N
MW248.39 g/mol
LogP3.84
Rot. Bonds2

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

(4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79246370) has the molecular formula C14H20N2S and a molecular weight of 248.39 g/mol. Its IUPAC name is (4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79246370
Molecular FormulaC14H20N2S
Molecular Weight248.39 g/mol
Exact Mass248.13
IUPAC Name(4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCc1ccc(C)c(NC2=N[C@@H](C(C)C)CS2)c1
InChIInChI=1S/C14H20N2S/c1-9(2)13-8-17-14(16-13)15-12-7-10(3)5-6-11(12)4/h5-7,9,13H,8H2,1-4H3,(H,15,16)/t13-/m1/s1
InChIKeyCWKOMDWYORIHGQ-CYBMUJFWSA-N
XLogP3.84
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.39
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-iodo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114257714
N-(5-bromo-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114009788
N-(2,5-dimethylphenyl)-4,5-dimethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113484243
N-(3,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857701
(4S)-N-(4-bromo-5-fluoro-2-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 114985894
(4S)-N-(3-bromo-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246393
(4S)-N-(2,4-dichlorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246788
N-(5-fluoro-2-methylphenyl)-4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 114177135
N-(2-bromo-5-chloro-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858130
4-methyl-3-[(4-propan-2-yl-5,6-dihydro-4H-1,3-thiazin-2-yl)amino]benzonitrile
CID 106351686
(4S)-N-(2-fluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79247207
N-(4-chloro-2-iodophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107858227

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 79246370) is (4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is Cc1ccc(C)c(NC2=N[C@@H](C(C)C)CS2)c1.
What is the InChIKey of (4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is CWKOMDWYORIHGQ-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2S/c1-9(2)13-8-17-14(16-13)15-12-7-10(3)5-6-11(12)4/h5-7,9,13H,8H2,1-4H3,(H,15,16)/t13-/m1/s1.
What are the key properties of (4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 248.39 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79246370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).