N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine

C21H24N2OS — CID 2058270

IUPACN-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
SMILESCCOc1ccc(Nc2nc(-c3ccc(CC(C)C)cc3)cs2)cc1
InChIInChI=1S/C21H24N2OS/c1-4-24-19-11-9-18(10-12-19)22-21-23-20(14-25-21)17-7-5-16(6-8-17)13-15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,22,23)
InChIKeyWAKBRGZCHDBXNP-UHFFFAOYSA-N
MW352.50 g/mol
LogP6.15
Rot. Bonds7

About N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine

N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine (PubChem CID 2058270) has the molecular formula C21H24N2OS and a molecular weight of 352.50 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
PubChem CID2058270
Molecular FormulaC21H24N2OS
Molecular Weight352.50 g/mol
Exact Mass352.16
IUPAC NameN-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine
SMILESCCOc1ccc(Nc2nc(-c3ccc(CC(C)C)cc3)cs2)cc1
InChIInChI=1S/C21H24N2OS/c1-4-24-19-11-9-18(10-12-19)22-21-23-20(14-25-21)17-7-5-16(6-8-17)13-15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,22,23)
InChIKeyWAKBRGZCHDBXNP-UHFFFAOYSA-N
XLogP6.15
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.50
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23889663
4-(4-aminophenyl)-N-(4-ethoxyphenyl)-1,3-thiazol-2-amine
CID 13155729
N-[4-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]phenyl]propanamide
CID 3891823
ethyl 2-[4-[2-(4-methylanilino)-1,3-thiazol-4-yl]phenoxy]acetate
CID 3074896
[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]hydrazine;hydrobromide
CID 171114823
4-(4-ethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 29457657
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethylphenyl)acetamide
CID 43951157
4-[4-[(4-bromophenyl)methoxy]phenyl]-N-phenyl-1,3-thiazol-2-amine
CID 3100458
6-[2-(4-ethoxyanilino)-1,3-thiazol-4-yl]-3,4-dihydro-1H-quinolin-2-one
CID 9343463
4-(4-fluorophenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 4093037
N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343440
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-3-(4-propan-2-ylphenyl)propanamide
CID 19221484

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine?
The IUPAC name of N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine (CID 2058270) is N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine is CCOc1ccc(Nc2nc(-c3ccc(CC(C)C)cc3)cs2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine?
The InChIKey is WAKBRGZCHDBXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2OS/c1-4-24-19-11-9-18(10-12-19)22-21-23-20(14-25-21)17-7-5-16(6-8-17)13-15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,22,23).
What are the key properties of N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine?
N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine has a molecular weight of 352.50 g/mol, XLogP of 6.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[4-(2-methylpropyl)phenyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 2058270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).