N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine

C22H18N2OS — CID 2303545

IUPACN-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C22H18N2OS/c1-25-21-10-6-5-9-19(21)23-22-24-20(15-26-22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)
InChIKeyOFNHICCOTMRLLO-UHFFFAOYSA-N
MW358.47 g/mol
LogP6.23
Rot. Bonds5

About N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine

N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine (PubChem CID 2303545) has the molecular formula C22H18N2OS and a molecular weight of 358.47 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
PubChem CID2303545
Molecular FormulaC22H18N2OS
Molecular Weight358.47 g/mol
Exact Mass358.11
IUPAC NameN-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
SMILESCOc1ccccc1Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1
InChIInChI=1S/C22H18N2OS/c1-25-21-10-6-5-9-19(21)23-22-24-20(15-26-22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24)
InChIKeyOFNHICCOTMRLLO-UHFFFAOYSA-N
XLogP6.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.47
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]-N-methylmethanesulfonamide
CID 9343584
4-(4-methoxyphenyl)-N-(2-methylphenyl)-1,3-thiazol-2-amine
CID 853927
N-[2-methoxy-4-[3-methoxy-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]phenyl]phenyl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 127037256
2-[3-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]isoindole-1,3-dione;hydrobromide
CID 2839813
4-(1-benzofuran-2-yl)-N-(2-methoxyphenyl)-1,3-thiazol-2-amine
CID 684498
1-[(2-methoxyphenyl)carbamothioylamino]-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 46192880
3-bromo-N-[4-[2-(2-methoxyanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 42764174
4-(4-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,3-thiazol-2-amine
CID 56660116
N-(4-methylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 2255838
N-(2-ethoxyphenyl)-4-(4-propan-2-ylphenyl)-1,3-thiazol-2-amine
CID 23775568
4-(2,5-dimethoxyphenyl)-N-(2-phenylphenyl)-1,3-thiazol-2-amine
CID 101224288
N-(3,4-dimethylphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine
CID 3721108

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine (CID 2303545) is N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine is COc1ccccc1Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1.
What is the InChIKey of N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
The InChIKey is OFNHICCOTMRLLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2OS/c1-25-21-10-6-5-9-19(21)23-22-24-20(15-26-22)18-13-11-17(12-14-18)16-7-3-2-4-8-16/h2-15H,1H3,(H,23,24).
What are the key properties of N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine?
N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine has a molecular weight of 358.47 g/mol, XLogP of 6.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-4-(4-phenylphenyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2303545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).