4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine

C20H17N3O2S — CID 51002785

IUPAC4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc4ccccc4n3)n2)cc1OC
InChIInChI=1S/C20H17N3O2S/c1-24-17-9-7-14(11-18(17)25-2)16-12-26-20(22-16)23-19-10-8-13-5-3-4-6-15(13)21-19/h3-12H,1-2H3,(H,21,22,23)
InChIKeyFSIIFWHPLJLLRR-UHFFFAOYSA-N
MW363.44 g/mol
LogP5.12
Rot. Bonds5

About 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine

4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine (PubChem CID 51002785) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine
PubChem CID51002785
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC Name4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine
SMILESCOc1ccc(-c2csc(Nc3ccc4ccccc4n3)n2)cc1OC
InChIInChI=1S/C20H17N3O2S/c1-24-17-9-7-14(11-18(17)25-2)16-12-26-20(22-16)23-19-10-8-13-5-3-4-6-15(13)21-19/h3-12H,1-2H3,(H,21,22,23)
InChIKeyFSIIFWHPLJLLRR-UHFFFAOYSA-N
XLogP5.12
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.44
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4-(3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl)-Thiazol-2-Yl)-Methanol
CID 5740
4-(3,4-dimethoxyphenyl)-N-pyridin-2-yl-1,3-thiazol-2-amine
CID 556017
Benzothiazol-2-yl-(3,4-dimethoxy-benzyl)-amine
CID 956331
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyridin-2-amine
CID 1092442
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(2-fluorophenyl)methylsulfanyl]quinazolin-4-amine
CID 3592300
3-[ethyl-[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl]amino]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 71458522
4-(4-methoxy-3-methylphenyl)-N-(6-methylpyridin-2-yl)-1,3-thiazol-2-amine
CID 751820
[4-(4-Methoxy-phenyl)-thiazol-2-yl]-(6-methyl-pyridin-2-yl)-amine
CID 973153
4-(3,4-dimethoxyphenyl)-N-(3-methyl-2-pyridinyl)-2-thiazolamine
CID 973120
[4-(3,4-Dimethoxy-phenyl)-thiazol-2-yl]-(4-methyl-pyridin-2-yl)-amine
CID 2877445
(6,7-Diethoxy-quinazolin-4-yl)-[2-fluoro-5-(2-methyl-thiazol-4-yl)-phenyl]-amine
CID 10002470
(6,7-Diethoxy-quinazolin-4-yl)-[2-methoxy-5-(2-methyl-thiazol-4-yl)-phenyl]-amine
CID 10127296

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine?
The IUPAC name of 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine (CID 51002785) is 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine is COc1ccc(-c2csc(Nc3ccc4ccccc4n3)n2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine?
The InChIKey is FSIIFWHPLJLLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-24-17-9-7-14(11-18(17)25-2)16-12-26-20(22-16)23-19-10-8-13-5-3-4-6-15(13)21-19/h3-12H,1-2H3,(H,21,22,23).
What are the key properties of 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine?
4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine has a molecular weight of 363.44 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethoxyphenyl)-N-quinolin-2-yl-1,3-thiazol-2-amine is sourced from PubChem (CID 51002785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).