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

C14H20N2OS — CID 79247001

IUPAC(4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOc1ccc(NC2=N[C@@H](C(C)C)CS2)cc1
InChIInChI=1S/C14H20N2OS/c1-4-17-12-7-5-11(6-8-12)15-14-16-13(9-18-14)10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyVRYSFAJJHGIVIW-CYBMUJFWSA-N
MW264.39 g/mol
LogP3.62
Rot. Bonds4

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

(4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 79247001) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is (4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID79247001
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC Name(4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOc1ccc(NC2=N[C@@H](C(C)C)CS2)cc1
InChIInChI=1S/C14H20N2OS/c1-4-17-12-7-5-11(6-8-12)15-14-16-13(9-18-14)10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)/t13-/m1/s1
InChIKeyVRYSFAJJHGIVIW-CYBMUJFWSA-N
XLogP3.62
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857701
(4S)-N-(3-bromo-4-methylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246393
(4S)-4-propan-2-yl-N-(3-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 79246375
1-N,4-N-bis(4-ethoxyphenyl)benzene-1,4-diamine
CID 139791472
N-(4-ethoxyphenyl)-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 2345498
2-fluoro-5-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]benzonitrile
CID 107857905
(1R)-1-[(4S)-2-anilino-4,5-dihydro-1,3-thiazol-4-yl]ethanol
CID 135044101
N-(4-ethoxyphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62522939
N-(4-propoxyphenyl)-4a,5,6,7,8,8a-hexahydro-4H-3,1-benzothiazin-2-amine
CID 106363205
N-pentan-3-yl-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 107857597
(4S)-N-(2,3,4,5,6-pentafluorophenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 115564682
(4S)-N-(2,3-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246681

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine (CID 79247001) is (4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is CCOc1ccc(NC2=N[C@@H](C(C)C)CS2)cc1.
What is the InChIKey of (4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is VRYSFAJJHGIVIW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-4-17-12-7-5-11(6-8-12)15-14-16-13(9-18-14)10(2)3/h5-8,10,13H,4,9H2,1-3H3,(H,15,16)/t13-/m1/s1.
What are the key properties of (4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 264.39 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(4-ethoxyphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 79247001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).