4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol

C17H19N5O2S2 — CID 169158221

IUPAC4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
SMILESNSc1ncc(Nc2ncc3cccc(OC4CCC(O)CC4)c3n2)s1
InChIInChI=1S/C17H19N5O2S2/c18-26-17-20-9-14(25-17)21-16-19-8-10-2-1-3-13(15(10)22-16)24-12-6-4-11(23)5-7-12/h1-3,8-9,11-12,23H,4-7,18H2,(H,19,21,22)
InChIKeyCGVGBIYNKWUUSJ-UHFFFAOYSA-N
MW389.51 g/mol
LogP3.48
Rot. Bonds5

About 4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol

4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol (PubChem CID 169158221) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
PubChem CID169158221
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC Name4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
SMILESNSc1ncc(Nc2ncc3cccc(OC4CCC(O)CC4)c3n2)s1
InChIInChI=1S/C17H19N5O2S2/c18-26-17-20-9-14(25-17)21-16-19-8-10-2-1-3-13(15(10)22-16)24-12-6-4-11(23)5-7-12/h1-3,8-9,11-12,23H,4-7,18H2,(H,19,21,22)
InChIKeyCGVGBIYNKWUUSJ-UHFFFAOYSA-N
XLogP3.48
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
CID 169158028
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
5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
CID 169158231
N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine
CID 169158038
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202
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
[6-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1H-benzimidazol-4-yl]methylcarbamic acid
CID 154944208
4-[2-[[2-[ethyl-[2-[ethyl(methyl)amino]ethyl]amino]-1,3-oxazol-5-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158244
N-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
CID 169158157
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The IUPAC name of 4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol (CID 169158221) is 4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol.
What is the SMILES notation for 4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The canonical SMILES for 4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol is NSc1ncc(Nc2ncc3cccc(OC4CCC(O)CC4)c3n2)s1.
What is the InChIKey of 4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol?
The InChIKey is CGVGBIYNKWUUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c18-26-17-20-9-14(25-17)21-16-19-8-10-2-1-3-13(15(10)22-16)24-12-6-4-11(23)5-7-12/h1-3,8-9,11-12,23H,4-7,18H2,(H,19,21,22).
What are the key properties of 4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol?
4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol has a molecular weight of 389.51 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol is sourced from PubChem (CID 169158221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).