1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea

C20H17N5O4S — CID 21092461

IUPAC1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc2ncnc(Oc3ccccc3NC(=O)Nc3nccs3)c2cc1OC
InChIInChI=1S/C20H17N5O4S/c1-27-16-9-12-14(10-17(16)28-2)22-11-23-18(12)29-15-6-4-3-5-13(15)24-19(26)25-20-21-7-8-30-20/h3-11H,1-2H3,(H2,21,24,25,26)
InChIKeyKSXCJALQOUHDOK-UHFFFAOYSA-N
MW423.45 g/mol
LogP4.54
Rot. Bonds6

About 1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea

1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 21092461) has the molecular formula C20H17N5O4S and a molecular weight of 423.45 g/mol. Its IUPAC name is 1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID21092461
Molecular FormulaC20H17N5O4S
Molecular Weight423.45 g/mol
Exact Mass423.10
IUPAC Name1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCOc1cc2ncnc(Oc3ccccc3NC(=O)Nc3nccs3)c2cc1OC
InChIInChI=1S/C20H17N5O4S/c1-27-16-9-12-14(10-17(16)28-2)22-11-23-18(12)29-15-6-4-3-5-13(15)24-19(26)25-20-21-7-8-30-20/h3-11H,1-2H3,(H2,21,24,25,26)
InChIKeyKSXCJALQOUHDOK-UHFFFAOYSA-N
XLogP4.54
TPSA107.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(2-methoxyphenyl)urea
CID 22667241
1-[2-[(3,4-dimethoxyphenyl)methoxy]phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59725734
1-[2-(2,3-dimethoxyphenoxy)-5-methoxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732942
1-[2-(2,3-dimethoxyphenoxy)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea
CID 59733062
1-(2,6-dimethoxyphenyl)-3-(1,3-thiazol-2-yl)urea
CID 108867903
2-[(2-methoxybenzoyl)amino]-N-(1,3-thiazol-2-yl)benzamide
CID 17361063
1-[2-(4-cyanophenoxy)phenyl]-3-(1,3-thiazol-2-yl)urea
CID 59732941
2-[2-(2-methoxyanilino)-2-oxoethoxy]-N-(1,3-thiazol-2-yl)benzamide
CID 1301072
1-[5-(3,3-difluoro-2-methylbutan-2-yl)-1,2-oxazol-3-yl]-3-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-2-fluorophenyl]urea
CID 143865447
1-[2-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-3-pyridin-3-ylurea
CID 67202836
1-[3-(6,7-dimethoxyquinazolin-4-yl)oxy-2-fluorophenyl]-3-[5-(1,1,1-trifluoro-2-methylpropan-2-yl)-1,2-oxazol-3-yl]urea
CID 58267789
1-[2-chloro-4-(7-methoxy-6-methylquinolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea
CID 88925883

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea (CID 21092461) is 1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea is COc1cc2ncnc(Oc3ccccc3NC(=O)Nc3nccs3)c2cc1OC.
What is the InChIKey of 1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is KSXCJALQOUHDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4S/c1-27-16-9-12-14(10-17(16)28-2)22-11-23-18(12)29-15-6-4-3-5-13(15)24-19(26)25-20-21-7-8-30-20/h3-11H,1-2H3,(H2,21,24,25,26).
What are the key properties of 1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea?
1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 423.45 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6,7-dimethoxyquinazolin-4-yl)oxyphenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 21092461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).