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

C15H21BrN2S — CID 81288365

IUPACN-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCc1cc(Br)ccc1NC1=NC(CC)(CC)CS1
InChIInChI=1S/C15H21BrN2S/c1-4-11-9-12(16)7-8-13(11)17-14-18-15(5-2,6-3)10-19-14/h7-9H,4-6,10H2,1-3H3,(H,17,18)
InChIKeyRDNYVLYZQXFZHT-UHFFFAOYSA-N
MW341.32 g/mol
LogP5.09
Rot. Bonds4

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

N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine (PubChem CID 81288365) has the molecular formula C15H21BrN2S and a molecular weight of 341.32 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
PubChem CID81288365
Molecular FormulaC15H21BrN2S
Molecular Weight341.32 g/mol
Exact Mass340.06
IUPAC NameN-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine
SMILESCCc1cc(Br)ccc1NC1=NC(CC)(CC)CS1
InChIInChI=1S/C15H21BrN2S/c1-4-11-9-12(16)7-8-13(11)17-14-18-15(5-2,6-3)10-19-14/h7-9H,4-6,10H2,1-3H3,(H,17,18)
InChIKeyRDNYVLYZQXFZHT-UHFFFAOYSA-N
XLogP5.09
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.32
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-bromophenyl)methyl]-N-(4-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3094859
2-(4-Bromo-2-methyl-phenylimino)-thiazolidin-4-one
CID 135459530
4,5-Dihydro-4,4-dimethyl-N-(4-methylphenyl)-2-thiazolamine
CID 2404813
4,4-dimethyl-N-(2-methylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 3614260
N-(2-ethylphenyl)-4,5-dihydro-1,3-thiazol-2-amine
CID 2731302
ethyl N'-methyl-N-(2-methylphenyl)carbamimidothioate
CID 44390439
propyl N'-methyl-N-(2-methylphenyl)carbamimidothioate
CID 44390440
propan-2-yl N'-methyl-N-(2-methylphenyl)carbamimidothioate
CID 44390445
N-(4-bromophenyl)-1-thia-3-azaspiro[5.5]undec-2-en-2-amine
CID 90671458
(5Z)-5-[(4-bromophenyl)methylidene]-N-(4-fluorophenyl)-4,4-dimethyl-1,3-thiazol-2-amine
CID 172455125
(4-Bromophenyl)(4-methyl(1,3-thiazolin-2-yl))amine
CID 4607969
(5Z)-N-(4-bromophenyl)-5-[(4-bromophenyl)methylidene]-4,4-dimethyl-1,3-thiazol-2-amine
CID 172456069

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine (CID 81288365) is N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine is CCc1cc(Br)ccc1NC1=NC(CC)(CC)CS1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
The InChIKey is RDNYVLYZQXFZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2S/c1-4-11-9-12(16)7-8-13(11)17-14-18-15(5-2,6-3)10-19-14/h7-9H,4-6,10H2,1-3H3,(H,17,18).
What are the key properties of N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine?
N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine has a molecular weight of 341.32 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-4,4-diethyl-5H-1,3-thiazol-2-amine is sourced from PubChem (CID 81288365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).