6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine

C25H24N6O2S — CID 70691240

IUPAC6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2nc(-n3ccnc3)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C25H24N6O2S/c1-4-32-22-12-19-20(13-23(22)33-5-2)29-25(31-10-9-26-15-31)30-24(19)28-18-8-6-7-17(11-18)21-14-34-16(3)27-21/h6-15H,4-5H2,1-3H3,(H,28,29,30)
InChIKeySKUHFYVUUKEASY-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.79
Rot. Bonds8

About 6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine

6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (PubChem CID 70691240) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is 6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound Name6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
PubChem CID70691240
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC Name6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine
SMILESCCOc1cc2nc(-n3ccnc3)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC
InChIInChI=1S/C25H24N6O2S/c1-4-32-22-12-19-20(13-23(22)33-5-2)29-25(31-10-9-26-15-31)30-24(19)28-18-8-6-7-17(11-18)21-14-34-16(3)27-21/h6-15H,4-5H2,1-3H3,(H,28,29,30)
InChIKeySKUHFYVUUKEASY-UHFFFAOYSA-N
XLogP5.79
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-[5,6-Dimethoxy-2-(1,3-Thiazol-2-Yl)-1h-Benzimidazol-1-Yl]quinazoline-2,4-Diamine
CID 56595785
(4-(3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl)-Thiazol-2-Yl)-Methanol
CID 5740
2-(1H-imidazol-1-yl)-9-methoxy-8-(2-methoxyethoxy)benzo[c][2,7]naphthyridin-4-amine
CID 44176356
6-methoxy-4-({4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-7-[3-(morpholin-4-yl)propoxy]quinoline-3-carbonitrile
CID 21704852
4-({3-chloro-4-[(1-ethyl-4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-7-[3-(dimethylamino)propoxy]-6-methoxyquinoline-3-carbonitrile
CID 25218804
4-({3-chloro-4-[(1-ethyl-4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinoline-3-carbonitrile
CID 25218812
4-({3-chloro-4-[(1-methyl-1H-imidazol-2-yl)sulfanyl]phenyl}amino)-6-methoxy-7-[3-(pyrrolidin-1-yl)propoxy]quinoline-3-carbonitrile
CID 25218823
9-Methoxy-8-(2-methoxyethoxy)-2-(4-methyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236914
2-[[7-[3-[Ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxy-4-quinazolinyl]amino]-N-(3-fluorophenyl)-5-thiazoleacetamide
CID 11504974
N-(2,3-difluorophenyl)-2-{2-[(7-{3-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1,3-thiazol-5-yl}acetamide
CID 11628500
N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine
CID 137332065
9-Methoxy-8-(2-methoxyethoxy)-2-(4-phenyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236915

Frequently Asked Questions

What is the IUPAC name of 6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The IUPAC name of 6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine (CID 70691240) is 6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine.
What is the SMILES notation for 6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The canonical SMILES for 6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is CCOc1cc2nc(-n3ccnc3)nc(Nc3cccc(-c4csc(C)n4)c3)c2cc1OCC.
What is the InChIKey of 6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
The InChIKey is SKUHFYVUUKEASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c1-4-32-22-12-19-20(13-23(22)33-5-2)29-25(31-10-9-26-15-31)30-24(19)28-18-8-6-7-17(11-18)21-14-34-16(3)27-21/h6-15H,4-5H2,1-3H3,(H,28,29,30).
What are the key properties of 6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine?
6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine has a molecular weight of 472.57 g/mol, XLogP of 5.79, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diethoxy-2-imidazol-1-yl-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 70691240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).