9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide

C18H15N5O3S — CID 118352762

IUPAC9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
SMILESCOc1ccc(Nc2ncnc3ccc4nc(C(N)=O)sc4c23)c(OC)c1
InChIInChI=1S/C18H15N5O3S/c1-25-9-3-4-10(13(7-9)26-2)22-17-14-11(20-8-21-17)5-6-12-15(14)27-18(23-12)16(19)24/h3-8H,1-2H3,(H2,19,24)(H,20,21,22)
InChIKeyXAWUXHMSVJHORF-UHFFFAOYSA-N
MW381.42 g/mol
LogP3.10
Rot. Bonds5

About 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide

9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide (PubChem CID 118352762) has the molecular formula C18H15N5O3S and a molecular weight of 381.42 g/mol. Its IUPAC name is 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide.

Molecular Properties

Compound Name9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
PubChem CID118352762
Molecular FormulaC18H15N5O3S
Molecular Weight381.42 g/mol
Exact Mass381.09
IUPAC Name9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
SMILESCOc1ccc(Nc2ncnc3ccc4nc(C(N)=O)sc4c23)c(OC)c1
InChIInChI=1S/C18H15N5O3S/c1-25-9-3-4-10(13(7-9)26-2)22-17-14-11(20-8-21-17)5-6-12-15(14)27-18(23-12)16(19)24/h3-8H,1-2H3,(H2,19,24)(H,20,21,22)
InChIKeyXAWUXHMSVJHORF-UHFFFAOYSA-N
XLogP3.10
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.42
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

9-(4-bromo-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide
CID 71277772
4-N,6-N-bis(2,4-dimethoxyphenyl)pyrimidine-4,5,6-triamine
CID 19142820
6-methoxy-1,3-benzothiazole-2-carboxamide
CID 539282
ethane;methyl 9-(4-ethoxy-2-fluoroanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 176978595
6-N-(2,4-dimethoxyphenyl)-4-N-(6-methyl-1,3-benzothiazol-2-yl)-5-nitropyrimidine-4,6-diamine
CID 23494973
5-amino-2-(2,4-dimethoxyanilino)benzamide
CID 61312108
N-(2,4-dimethoxyphenyl)-5-ethyl-6-hydrazinylpyrimidin-4-amine
CID 80913595
6-chloro-N-(2,4-dimethoxyphenyl)-5-propan-2-ylpyrimidin-4-amine
CID 63734235
methyl 4-(4-fluoro-2-methoxyanilino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate
CID 58413295
4,6-dimethoxy-1,3-benzothiazole-2-carboxamide
CID 131858263
N'-[5-amino-6-(2,4-dimethoxyanilino)pyrimidin-4-yl]-2-phenoxyacetohydrazide
CID 19142907
methyl 9-[4-(dimethylamino)anilino]-[1,3]thiazolo[5,4-f]quinazoline-2-carboximidate
CID 71529614

Frequently Asked Questions

What is the IUPAC name of 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide?
The IUPAC name of 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide (CID 118352762) is 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide.
What is the SMILES notation for 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide?
The canonical SMILES for 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide is COc1ccc(Nc2ncnc3ccc4nc(C(N)=O)sc4c23)c(OC)c1.
What is the InChIKey of 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide?
The InChIKey is XAWUXHMSVJHORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O3S/c1-25-9-3-4-10(13(7-9)26-2)22-17-14-11(20-8-21-17)5-6-12-15(14)27-18(23-12)16(19)24/h3-8H,1-2H3,(H2,19,24)(H,20,21,22).
What are the key properties of 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide?
9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,4-dimethoxyanilino)-[1,3]thiazolo[5,4-f]quinazoline-2-carboxamide is sourced from PubChem (CID 118352762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).