5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide

C17H19N5O4S2 — CID 169158028

IUPAC5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
SMILESNS(=O)(=O)c1ncc(Nc2ncc3cccc(OC4CCC(O)CC4)c3n2)s1
InChIInChI=1S/C17H19N5O4S2/c18-28(24,25)17-20-9-14(27-17)21-16-19-8-10-2-1-3-13(15(10)22-16)26-12-6-4-11(23)5-7-12/h1-3,8-9,11-12,23H,4-7H2,(H2,18,24,25)(H,19,21,22)
InChIKeyQWQAOIXAZYBNLK-UHFFFAOYSA-N
MW421.50 g/mol
LogP2.16
Rot. Bonds5

About 5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide

5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide (PubChem CID 169158028) has the molecular formula C17H19N5O4S2 and a molecular weight of 421.50 g/mol. Its IUPAC name is 5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound Name5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
PubChem CID169158028
Molecular FormulaC17H19N5O4S2
Molecular Weight421.50 g/mol
Exact Mass421.09
IUPAC Name5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
SMILESNS(=O)(=O)c1ncc(Nc2ncc3cccc(OC4CCC(O)CC4)c3n2)s1
InChIInChI=1S/C17H19N5O4S2/c18-28(24,25)17-20-9-14(27-17)21-16-19-8-10-2-1-3-13(15(10)22-16)26-12-6-4-11(23)5-7-12/h1-3,8-9,11-12,23H,4-7H2,(H2,18,24,25)(H,19,21,22)
InChIKeyQWQAOIXAZYBNLK-UHFFFAOYSA-N
XLogP2.16
TPSA140.32 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 52.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Related Compounds

5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
CID 169158231
4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158221
2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
CID 169158054
N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine
CID 169158038
ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
CID 169158053
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202
[6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid
CID 154944208
4-[2-[[3-(1-hydroxyethyl)-2H-indazol-6-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 122513550
N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
CID 169158023
4-[2-[[2-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-1,3-oxazol-5-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158244
4-[[8-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]quinazolin-2-yl]amino]benzenesulfonamide
CID 67101621
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
CID 169158157

Frequently Asked Questions

What is the IUPAC name of 5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide?
The IUPAC name of 5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide (CID 169158028) is 5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for 5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide?
The canonical SMILES for 5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide is NS(=O)(=O)c1ncc(Nc2ncc3cccc(OC4CCC(O)CC4)c3n2)s1.
What is the InChIKey of 5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide?
The InChIKey is QWQAOIXAZYBNLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4S2/c18-28(24,25)17-20-9-14(27-17)21-16-19-8-10-2-1-3-13(15(10)22-16)26-12-6-4-11(23)5-7-12/h1-3,8-9,11-12,23H,4-7H2,(H2,18,24,25)(H,19,21,22).
What are the key properties of 5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide?
5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide has a molecular weight of 421.50 g/mol, XLogP of 2.16, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 169158028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).