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

C12H16N2OS — CID 2345411

IUPAC(4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOc1ccccc1NC1=N[C@@H](C)CS1
InChIInChI=1S/C12H16N2OS/c1-3-15-11-7-5-4-6-10(11)14-12-13-9(2)8-16-12/h4-7,9H,3,8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyYEJAEBLVFZEWII-VIFPVBQESA-N
MW236.34 g/mol
LogP2.99
Rot. Bonds3

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

(4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (PubChem CID 2345411) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is (4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.

Molecular Properties

Compound Name(4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
PubChem CID2345411
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name(4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
SMILESCCOc1ccccc1NC1=N[C@@H](C)CS1
InChIInChI=1S/C12H16N2OS/c1-3-15-11-7-5-4-6-10(11)14-12-13-9(2)8-16-12/h4-7,9H,3,8H2,1-2H3,(H,13,14)/t9-/m0/s1
InChIKeyYEJAEBLVFZEWII-VIFPVBQESA-N
XLogP2.99
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethoxyphenyl)-5,5-diethyl-4,6-dihydro-1,3-thiazin-2-amine
CID 106249725
N-(2-ethoxyphenyl)-5-(2-methylpropyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 107153725
N-(2-ethoxyphenyl)-7-thia-9-azaspiro[4.5]dec-8-en-8-amine
CID 115361017
N-(2-bromo-4-fluorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 43440061
N-(2-ethoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114399974
N-(3-ethoxyphenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 83187669
N-(2-ethoxyphenyl)thiolan-3-amine
CID 43191691
2-[4-(2-ethoxyanilino)anilino]phenol
CID 139619306
N-(2-bromo-4-chlorophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 81274901
5-(aminomethyl)-N-(2-ethoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 96663796
N-(2-chloro-4-iodophenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 107607250
4-ethyl-N-(2-methyl-3-pyridinyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 79044170

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The IUPAC name of (4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine (CID 2345411) is (4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine.
What is the SMILES notation for (4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The canonical SMILES for (4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is CCOc1ccccc1NC1=N[C@@H](C)CS1.
What is the InChIKey of (4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
The InChIKey is YEJAEBLVFZEWII-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N2OS/c1-3-15-11-7-5-4-6-10(11)14-12-13-9(2)8-16-12/h4-7,9H,3,8H2,1-2H3,(H,13,14)/t9-/m0/s1.
What are the key properties of (4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine?
(4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine has a molecular weight of 236.34 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(2-ethoxyphenyl)-4-methyl-4,5-dihydro-1,3-thiazol-2-amine is sourced from PubChem (CID 2345411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).