N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine

C15H22N2S — CID 62523651

IUPACN-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2cccc(C)c2C)=N1
InChIInChI=1S/C15H22N2S/c1-5-15(6-2)10-18-14(17-15)16-13-9-7-8-11(3)12(13)4/h7-9H,5-6,10H2,1-4H3,(H,16,17)
InChIKeyMBBNKBRFDWTCAQ-UHFFFAOYSA-N
MW262.42 g/mol
LogP4.38
Rot. Bonds3

About N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine

N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine (PubChem CID 62523651) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
PubChem CID62523651
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC NameN-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCC1(CC)CSC(Nc2cccc(C)c2C)=N1
InChIInChI=1S/C15H22N2S/c1-5-15(6-2)10-18-14(17-15)16-13-9-7-8-11(3)12(13)4/h7-9H,5-6,10H2,1-4H3,(H,16,17)
InChIKeyMBBNKBRFDWTCAQ-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-diethyl-N-(2,4,5-trichlorophenyl)-5H-1,3-thiazol-2-amine
CID 55081372
4,4-diethyl-N-(3-iodophenyl)-5H-1,3-thiazol-2-amine
CID 62523962
N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 81288365
4,4-diethyl-N-(4-ethylphenyl)-5H-1,3-thiazol-2-amine
CID 55081235
N-(2,3-dimethylphenyl)-4-ethyl-5,6-dihydro-4H-1,3-thiazin-2-amine
CID 113495956
4,4-diethyl-N-(1-methylpyrazol-3-yl)-5H-1,3-thiazol-2-amine
CID 62519245
N-(4-chloro-3-fluorophenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
CID 62517851
(4S)-N-(2,3-dimethylphenyl)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 79246681
N-(2,3-dimethylphenyl)-1-ethyl-4-methylimidazol-2-amine
CID 106560009
4-N-(2,3-dimethylphenyl)-2-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80934005
5,5-diethyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)-4,6-dihydro-1,3-thiazin-2-amine
CID 106249760
2,3-dimethyl-N-phenylaniline
CID 14952469

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine (CID 62523651) is N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine is CCC1(CC)CSC(Nc2cccc(C)c2C)=N1.
What is the InChIKey of N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The InChIKey is MBBNKBRFDWTCAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-5-15(6-2)10-18-14(17-15)16-13-9-7-8-11(3)12(13)4/h7-9H,5-6,10H2,1-4H3,(H,16,17).
What are the key properties of N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine has a molecular weight of 262.42 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 62523651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).