5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine

C24H27N7O2S — CID 24987521

IUPAC5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine
SMILESCOc1cc2ncnc(-c3sc(Nc4ccc(N5CCN(C)CC5)cc4)nc3N)c2cc1OC
InChIInChI=1S/C24H27N7O2S/c1-30-8-10-31(11-9-30)16-6-4-15(5-7-16)28-24-29-23(25)22(34-24)21-17-12-19(32-2)20(33-3)13-18(17)26-14-27-21/h4-7,12-14H,8-11,25H2,1-3H3,(H,28,29)
InChIKeyWCUIPKZOZCRLFP-UHFFFAOYSA-N
MW477.59 g/mol
LogP3.85
Rot. Bonds6

About 5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine

5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine (PubChem CID 24987521) has the molecular formula C24H27N7O2S and a molecular weight of 477.59 g/mol. Its IUPAC name is 5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine.

Molecular Properties

Compound Name5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine
PubChem CID24987521
Molecular FormulaC24H27N7O2S
Molecular Weight477.59 g/mol
Exact Mass477.19
IUPAC Name5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine
SMILESCOc1cc2ncnc(-c3sc(Nc4ccc(N5CCN(C)CC5)cc4)nc3N)c2cc1OC
InChIInChI=1S/C24H27N7O2S/c1-30-8-10-31(11-9-30)16-6-4-15(5-7-16)28-24-29-23(25)22(34-24)21-17-12-19(32-2)20(33-3)13-18(17)26-14-27-21/h4-7,12-14H,8-11,25H2,1-3H3,(H,28,29)
InChIKeyWCUIPKZOZCRLFP-UHFFFAOYSA-N
XLogP3.85
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.59
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

[4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-[2-[4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-3-methoxyphenyl]methanone
CID 87889102
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
7-[[(3aS,6R,6aR)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-6-methoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-4-amine
CID 58013797
[4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(3,5-difluoro-4-methoxyphenyl)methanone;propane
CID 142154080
5,8-dimethoxy-N-[4-(4-methylpiperazin-1-yl)phenyl]quinazolin-6-amine
CID 162646712
[4-amino-2-[4-(4-methylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(1,3-benzodioxol-5-yl)methanone
CID 10296815
[4-amino-2-[4-(4-propan-2-ylpiperazin-1-yl)anilino]-1,3-thiazol-5-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 10116068
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
N-(4-aminophenyl)-4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 22707383
4-N-(3,4-dimethoxyphenyl)-6-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112866539
4-(6,7-dimethoxyquinazolin-4-yl)piperazine-1-carboxamide
CID 86756553
4-[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]-1,3-benzothiazol-2-amine;hydrochloride
CID 87678247

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine?
The IUPAC name of 5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine (CID 24987521) is 5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine.
What is the SMILES notation for 5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine?
The canonical SMILES for 5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine is COc1cc2ncnc(-c3sc(Nc4ccc(N5CCN(C)CC5)cc4)nc3N)c2cc1OC.
What is the InChIKey of 5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine?
The InChIKey is WCUIPKZOZCRLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2S/c1-30-8-10-31(11-9-30)16-6-4-15(5-7-16)28-24-29-23(25)22(34-24)21-17-12-19(32-2)20(33-3)13-18(17)26-14-27-21/h4-7,12-14H,8-11,25H2,1-3H3,(H,28,29).
What are the key properties of 5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine?
5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine has a molecular weight of 477.59 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dimethoxyquinazolin-4-yl)-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-1,3-thiazole-2,4-diamine is sourced from PubChem (CID 24987521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).