1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

C19H21N3OS — CID 23889665

IUPAC1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOc1ccc(-c2csc(Nc3ccc(N(C)C)cc3)n2)cc1C
InChIInChI=1S/C19H21N3OS/c1-13-11-14(5-10-18(13)23-4)17-12-24-19(21-17)20-15-6-8-16(9-7-15)22(2)3/h5-12H,1-4H3,(H,20,21)
InChIKeyRGJQWAZFQRTWAL-UHFFFAOYSA-N
MW339.46 g/mol
LogP4.94
Rot. Bonds5

About 1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine

1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 23889665) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is 1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID23889665
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCOc1ccc(-c2csc(Nc3ccc(N(C)C)cc3)n2)cc1C
InChIInChI=1S/C19H21N3OS/c1-13-11-14(5-10-18(13)23-4)17-12-24-19(21-17)20-15-6-8-16(9-7-15)22(2)3/h5-12H,1-4H3,(H,20,21)
InChIKeyRGJQWAZFQRTWAL-UHFFFAOYSA-N
XLogP4.94
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(3,4-dimethoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2877323
N-[bis[4-(dimethylamino)phenyl]methylideneamino]-4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-amine
CID 3591415
N,4-bis(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2858486
4-(3-chloro-4-methoxyphenyl)-N-(4-fluorophenyl)-1,3-thiazol-2-amine
CID 166194851
5-methoxy-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-1,3-benzothiazol-2-amine
CID 7513064
2-bromo-4-(4-methoxy-3-methylphenyl)-1,3-thiazole
CID 82094050
N-(6-chloro-3-pyridinyl)-4-[4-(dimethylamino)phenyl]-1,3-thiazol-2-amine
CID 166340336
4-N,4-N-dimethyl-1-N-(4-pyridin-3-yl-1,3-thiazol-2-yl)benzene-1,4-diamine;hydrobromide
CID 5344942
2-N,5-N-bis[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]thiophene-2,5-dicarboxamide
CID 5136321
N-(3-chloro-4-methylphenyl)-4-(3,4-dimethylphenyl)-1,3-thiazol-2-amine;hydrobromide
CID 2859307
4-(3,4-dimethylphenyl)-N-(3-methylphenyl)-1,3-thiazol-2-amine
CID 873210
1-(4-ethoxyphenyl)-3-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]urea
CID 4685723

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine (CID 23889665) is 1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is COc1ccc(-c2csc(Nc3ccc(N(C)C)cc3)n2)cc1C.
What is the InChIKey of 1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is RGJQWAZFQRTWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-13-11-14(5-10-18(13)23-4)17-12-24-19(21-17)20-15-6-8-16(9-7-15)22(2)3/h5-12H,1-4H3,(H,20,21).
What are the key properties of 1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine?
1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 339.46 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(4-methoxy-3-methylphenyl)-1,3-thiazol-2-yl]-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 23889665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).