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

C18H21N5O4S2 — CID 169158231

IUPAC5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
SMILESCOC1CCC(Oc2cccc3cnc(Nc4cnc(S(N)(=O)=O)s4)nc23)CC1
InChIInChI=1S/C18H21N5O4S2/c1-26-12-5-7-13(8-6-12)27-14-4-2-3-11-9-20-17(23-16(11)14)22-15-10-21-18(28-15)29(19,24)25/h2-4,9-10,12-13H,5-8H2,1H3,(H2,19,24,25)(H,20,22,23)
InChIKeyKAMUTKMVOOPLCY-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.81
Rot. Bonds6

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

5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide (PubChem CID 169158231) has the molecular formula C18H21N5O4S2 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide.

Molecular Properties

Compound Name5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
PubChem CID169158231
Molecular FormulaC18H21N5O4S2
Molecular Weight435.53 g/mol
Exact Mass435.10
IUPAC Name5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
SMILESCOC1CCC(Oc2cccc3cnc(Nc4cnc(S(N)(=O)=O)s4)nc23)CC1
InChIInChI=1S/C18H21N5O4S2/c1-26-12-5-7-13(8-6-12)27-14-4-2-3-11-9-20-17(23-16(11)14)22-15-10-21-18(28-15)29(19,24)25/h2-4,9-10,12-13H,5-8H2,1H3,(H2,19,24,25)(H,20,22,23)
InChIKeyKAMUTKMVOOPLCY-UHFFFAOYSA-N
XLogP2.81
TPSA129.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
CID 169158028
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
ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
CID 169158053
N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine
CID 169158038
N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
CID 169158023
4-[[8-[[(3S)-1-azabicyclo[2.2.2]octan-3-yl]oxy]quinazolin-2-yl]amino]benzenesulfonamide
CID 67101621
N-[4-[[8-(oxan-4-yloxy)quinazolin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 58082692
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
CID 67102852
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202
N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine
CID 169158095

Frequently Asked Questions

What is the IUPAC name of 5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide?
The IUPAC name of 5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide (CID 169158231) is 5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide.
What is the SMILES notation for 5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide?
The canonical SMILES for 5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide is COC1CCC(Oc2cccc3cnc(Nc4cnc(S(N)(=O)=O)s4)nc23)CC1.
What is the InChIKey of 5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide?
The InChIKey is KAMUTKMVOOPLCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O4S2/c1-26-12-5-7-13(8-6-12)27-14-4-2-3-11-9-20-17(23-16(11)14)22-15-10-21-18(28-15)29(19,24)25/h2-4,9-10,12-13H,5-8H2,1H3,(H2,19,24,25)(H,20,22,23).
What are the key properties of 5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide?
5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide has a molecular weight of 435.53 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide is sourced from PubChem (CID 169158231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).