ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine

C20H29N7OS2 — CID 169158053

IUPACethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
SMILESCC.CNC1CCC(Oc2cccc3cnc(Nc4cnc(SNN)s4)nc23)CC1
InChIInChI=1S/C18H23N7OS2.C2H6/c1-20-12-5-7-13(8-6-12)26-14-4-2-3-11-9-21-17(24-16(11)14)23-15-10-22-18(27-15)28-25-19;1-2/h2-4,9-10,12-13,20,25H,5-8,19H2,1H3,(H,21,23,24);1-2H3
InChIKeyQTYSFLSAJLOUIY-UHFFFAOYSA-N
MW447.63 g/mol
LogP4.24
Rot. Bonds7

About ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine

ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine (PubChem CID 169158053) has the molecular formula C20H29N7OS2 and a molecular weight of 447.63 g/mol. Its IUPAC name is ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine.

Molecular Properties

Compound Nameethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
PubChem CID169158053
Molecular FormulaC20H29N7OS2
Molecular Weight447.63 g/mol
Exact Mass447.19
IUPAC Nameethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
SMILESCC.CNC1CCC(Oc2cccc3cnc(Nc4cnc(SNN)s4)nc23)CC1
InChIInChI=1S/C18H23N7OS2.C2H6/c1-20-12-5-7-13(8-6-12)26-14-4-2-3-11-9-21-17(24-16(11)14)23-15-10-22-18(27-15)28-25-19;1-2/h2-4,9-10,12-13,20,25H,5-8,19H2,1H3,(H,21,23,24);1-2H3
InChIKeyQTYSFLSAJLOUIY-UHFFFAOYSA-N
XLogP4.24
TPSA110.01 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.63
LogP ≤ 54.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine with MolForge

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Related Compounds

2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
CID 169158054
4-[2-[(2-aminosulfanyl-1,3-thiazol-5-yl)amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158221
N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
CID 169158023
5-[[8-(4-methoxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
CID 169158231
5-[[8-(4-hydroxycyclohexyl)oxyquinazolin-2-yl]amino]-1,3-thiazole-2-sulfonamide
CID 169158028
N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine
CID 169158038
N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine
CID 169158095
6-[[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]amino]-N-(oxan-4-yl)pyridine-3-carboxamide
CID 169158099
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-[4-[2-[4-(4-methylpiperazin-1-yl)anilino]quinazolin-8-yl]oxycyclohexyl]acetamide
CID 169158157
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine?
The IUPAC name of ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine (CID 169158053) is ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine.
What is the SMILES notation for ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine?
The canonical SMILES for ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine is CC.CNC1CCC(Oc2cccc3cnc(Nc4cnc(SNN)s4)nc23)CC1.
What is the InChIKey of ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine?
The InChIKey is QTYSFLSAJLOUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7OS2.C2H6/c1-20-12-5-7-13(8-6-12)26-14-4-2-3-11-9-21-17(24-16(11)14)23-15-10-22-18(27-15)28-25-19;1-2/h2-4,9-10,12-13,20,25H,5-8,19H2,1H3,(H,21,23,24);1-2H3.
What are the key properties of ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine?
ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine has a molecular weight of 447.63 g/mol, XLogP of 4.24, 7 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine is sourced from PubChem (CID 169158053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).