4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide

C22H21N5O3S — CID 10173521

IUPAC4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide
SMILESCCOc1cc2ncnc(Nc3cccc(-c4csc(C(N)=O)n4)c3)c2cc1OCC
InChIInChI=1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)17-11-31-22(27-17)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26)
InChIKeyJDHKWXHVXJDOJD-UHFFFAOYSA-N
MW435.51 g/mol
LogP4.39
Rot. Bonds8

About 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide

4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide (PubChem CID 10173521) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound Name4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide
PubChem CID10173521
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide
SMILESCCOc1cc2ncnc(Nc3cccc(-c4csc(C(N)=O)n4)c3)c2cc1OCC
InChIInChI=1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)17-11-31-22(27-17)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26)
InChIKeyJDHKWXHVXJDOJD-UHFFFAOYSA-N
XLogP4.39
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-fluorophenyl)-2-{2-[(7-{3-[4-(hydroxymethyl)piperidin-1-yl]propoxy}-6-methoxyquinazolin-4-yl)amino]-1,3-thiazol-5-yl}acetamide
CID 9916282
4-(3-Methylsulfanylanilino)-6,7-Dimethoxyquinazoline
CID 1714
(4-(3-(6,7-Diethoxy-Quinazolin-4-Ylamino)-Phenyl)-Thiazol-2-Yl)-Methanol
CID 5740
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(thiophen-3-ylmethoxy)quinazolin-4-amine
CID 5329023
N-[4-[[4-[[(2,4-Diamino-5-quinazolinyl)oxy]methyl]-1-piperidinyl]methyl]-2-thiazolyl]acetamide
CID 44242592
2-[[7-[3-[Ethyl(2-hydroxyethyl)amino]propoxy]-6-methoxy-4-quinazolinyl]amino]-N-(3-fluorophenyl)-5-thiazoleacetamide
CID 11504974
4-(6,7-dimethoxyquinazolin-4-yl)-N-thiophen-3-ylpiperazine-1-carboxamide
CID 10386217
N-[2-(7-methoxy-4-morpholin-4-yl-quinazolin-6-yl)oxyethyl]-1,3-benzothiazol-2-amine
CID 137332065
N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-[3-(4-methylpiperazin-1-yl)propoxy]quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide
CID 11512480
N-(3-fluorophenyl)-2-(2-(7-(3-(2-hydroxyethylamino)propoxy)-6-methoxyquinazolin-4-ylamino)thiazol-5-yl)acetamide
CID 11548214
N-(3-fluorophenyl)-2-[2-[[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide
CID 11548500
N-(3-fluorophenyl)-2-[2-[[7-[3-[2-hydroxyethyl(prop-2-ynyl)amino]propoxy]-6-methoxyquinazolin-4-yl]amino]-1,3-thiazol-5-yl]acetamide
CID 11577723

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide?
The IUPAC name of 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide (CID 10173521) is 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide.
What is the SMILES notation for 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide?
The canonical SMILES for 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide is CCOc1cc2ncnc(Nc3cccc(-c4csc(C(N)=O)n4)c3)c2cc1OCC.
What is the InChIKey of 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide?
The InChIKey is JDHKWXHVXJDOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-3-29-18-9-15-16(10-19(18)30-4-2)24-12-25-21(15)26-14-7-5-6-13(8-14)17-11-31-22(27-17)20(23)28/h5-12H,3-4H2,1-2H3,(H2,23,28)(H,24,25,26).
What are the key properties of 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide?
4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide has a molecular weight of 435.51 g/mol, XLogP of 4.39, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(6,7-diethoxyquinazolin-4-yl)amino]phenyl]-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 10173521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).