N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine

C21H27N7OS — CID 169158038

IUPACN-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine
SMILESNC1CCC(Oc2cccc3cnc(Nc4cnc(N5CCNCC5)s4)nc23)CC1
InChIInChI=1S/C21H27N7OS/c22-15-4-6-16(7-5-15)29-17-3-1-2-14-12-24-20(27-19(14)17)26-18-13-25-21(30-18)28-10-8-23-9-11-28/h1-3,12-13,15-16,23H,4-11,22H2,(H,24,26,27)
InChIKeyAKZNHSNKNNPAID-UHFFFAOYSA-N
MW425.56 g/mol
LogP2.89
Rot. Bonds5

About N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine

N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine (PubChem CID 169158038) has the molecular formula C21H27N7OS and a molecular weight of 425.56 g/mol. Its IUPAC name is N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine.

Molecular Properties

Compound NameN-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine
PubChem CID169158038
Molecular FormulaC21H27N7OS
Molecular Weight425.56 g/mol
Exact Mass425.20
IUPAC NameN-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine
SMILESNC1CCC(Oc2cccc3cnc(Nc4cnc(N5CCNCC5)s4)nc23)CC1
InChIInChI=1S/C21H27N7OS/c22-15-4-6-16(7-5-15)29-17-3-1-2-14-12-24-20(27-19(14)17)26-18-13-25-21(30-18)28-10-8-23-9-11-28/h1-3,12-13,15-16,23H,4-11,22H2,(H,24,26,27)
InChIKeyAKZNHSNKNNPAID-UHFFFAOYSA-N
XLogP2.89
TPSA101.22 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine with MolForge

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Related Compounds

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
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
ethane;2-hydrazinylsulfanyl-N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-1,3-thiazol-5-amine
CID 169158053
N-methyl-8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-amine
CID 169158023
N-[8-[4-(methylamino)cyclohexyl]oxyquinazolin-2-yl]-2-morpholin-4-yl-1,3-oxazol-5-amine
CID 169158095
N-(3-bromo-4-fluorophenyl)-8-piperidin-4-yloxyquinazolin-2-amine
CID 67102852
8-(4-aminocyclohexyl)sulfinyl-N-(2-piperazin-1-yl-1H-imidazol-5-yl)quinazolin-2-amine
CID 169158071
N-(4-fluorophenyl)-8-(1-propan-2-ylpiperidin-4-yl)oxyquinazolin-2-amine
CID 67101978
4-[2-[[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]amino]quinazolin-8-yl]oxycyclohexan-1-ol
CID 169158202
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 N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine?
The IUPAC name of N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine (CID 169158038) is N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine.
What is the SMILES notation for N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine?
The canonical SMILES for N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine is NC1CCC(Oc2cccc3cnc(Nc4cnc(N5CCNCC5)s4)nc23)CC1.
What is the InChIKey of N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine?
The InChIKey is AKZNHSNKNNPAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7OS/c22-15-4-6-16(7-5-15)29-17-3-1-2-14-12-24-20(27-19(14)17)26-18-13-25-21(30-18)28-10-8-23-9-11-28/h1-3,12-13,15-16,23H,4-11,22H2,(H,24,26,27).
What are the key properties of N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine?
N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine has a molecular weight of 425.56 g/mol, XLogP of 2.89, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(4-aminocyclohexyl)oxyquinazolin-2-yl]-2-piperazin-1-yl-1,3-thiazol-5-amine is sourced from PubChem (CID 169158038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).