1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea

C22H21N7O4S2 — CID 162651286

IUPAC1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C22H21N7O4S2/c30-21(24-15-5-7-16(8-6-15)35(31,32)28-22-23-9-14-34-22)27-20-25-18-4-2-1-3-17(18)19(26-20)29-10-12-33-13-11-29/h1-9,14H,10-13H2,(H,23,28)(H2,24,25,26,27,30)
InChIKeyDEWWEOOVJREFIM-UHFFFAOYSA-N
MW511.59 g/mol
LogP3.37
Rot. Bonds6

About 1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea

1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea (PubChem CID 162651286) has the molecular formula C22H21N7O4S2 and a molecular weight of 511.59 g/mol. Its IUPAC name is 1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea.

Molecular Properties

Compound Name1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
PubChem CID162651286
Molecular FormulaC22H21N7O4S2
Molecular Weight511.59 g/mol
Exact Mass511.11
IUPAC Name1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1
InChIInChI=1S/C22H21N7O4S2/c30-21(24-15-5-7-16(8-6-15)35(31,32)28-22-23-9-14-34-22)27-20-25-18-4-2-1-3-17(18)19(26-20)29-10-12-33-13-11-29/h1-9,14H,10-13H2,(H,23,28)(H2,24,25,26,27,30)
InChIKeyDEWWEOOVJREFIM-UHFFFAOYSA-N
XLogP3.37
TPSA138.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.59
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

4-(acridin-9-ylamino)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 10550689
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2-(2-chlorophenyl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]quinoline-4-carboxamide
CID 1220561
2-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 2933069
cis-(1S,2R)-2-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxamide
CID 1009601
2-isoquinolin-1-yloxy-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88543999
2-piperidin-1-yl-2-sulfanylidene-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 25046214
(1R,6R)-6-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 28976910
(Z)-2-methyl-3-phenyl-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 1308409
3-(benzimidazol-1-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 25390413
2-(1H-benzimidazol-2-yloxy)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]acetamide
CID 88544255
1-[4-(5-methoxy-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
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Frequently Asked Questions

What is the IUPAC name of 1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea?
The IUPAC name of 1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea (CID 162651286) is 1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea.
What is the SMILES notation for 1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea?
The canonical SMILES for 1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1nc(N2CCOCC2)c2ccccc2n1.
What is the InChIKey of 1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea?
The InChIKey is DEWWEOOVJREFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O4S2/c30-21(24-15-5-7-16(8-6-15)35(31,32)28-22-23-9-14-34-22)27-20-25-18-4-2-1-3-17(18)19(26-20)29-10-12-33-13-11-29/h1-9,14H,10-13H2,(H,23,28)(H2,24,25,26,27,30).
What are the key properties of 1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea?
1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea has a molecular weight of 511.59 g/mol, XLogP of 3.37, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-morpholin-4-ylquinazolin-2-yl)-3-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]urea is sourced from PubChem (CID 162651286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).