N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine

C18H21N5OS — CID 156673192

IUPACN-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)n1
InChIInChI=1S/C18H21N5OS/c1-11-10-25-18(22-11)23-13-2-4-14(5-3-13)24-16-9-12(19)8-15-17(16)21-7-6-20-15/h6-10,13-14H,2-5,19H2,1H3,(H,22,23)
InChIKeyLNQFFMBGWQWQJC-UHFFFAOYSA-N
MW355.47 g/mol
LogP3.78
Rot. Bonds4

About N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine

N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 156673192) has the molecular formula C18H21N5OS and a molecular weight of 355.47 g/mol. Its IUPAC name is N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine
PubChem CID156673192
Molecular FormulaC18H21N5OS
Molecular Weight355.47 g/mol
Exact Mass355.15
IUPAC NameN-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)n1
InChIInChI=1S/C18H21N5OS/c1-11-10-25-18(22-11)23-13-2-4-14(5-3-13)24-16-9-12(19)8-15-17(16)21-7-6-20-15/h6-10,13-14H,2-5,19H2,1H3,(H,22,23)
InChIKeyLNQFFMBGWQWQJC-UHFFFAOYSA-N
XLogP3.78
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine (CID 156673192) is N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine is Cc1csc(NC2CCC(Oc3cc(N)cc4nccnc34)CC2)n1.
What is the InChIKey of N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is LNQFFMBGWQWQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5OS/c1-11-10-25-18(22-11)23-13-2-4-14(5-3-13)24-16-9-12(19)8-15-17(16)21-7-6-20-15/h6-10,13-14H,2-5,19H2,1H3,(H,22,23).
What are the key properties of N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine?
N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 355.47 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(7-aminoquinoxalin-5-yl)oxycyclohexyl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 156673192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).