N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine

C21H23N3O2S — CID 22427876

IUPACN-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(C)o3)c(NC3CCCCC3)n12
InChIInChI=1S/C21H23N3O2S/c1-13-8-11-17(26-13)19-20(22-14-6-4-3-5-7-14)24-16-10-9-15(25-2)12-18(16)27-21(24)23-19/h8-12,14,22H,3-7H2,1-2H3
InChIKeyGABBJWANTMPTEL-UHFFFAOYSA-N
MW381.50 g/mol
LogP5.87
Rot. Bonds4

About N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine

N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine (PubChem CID 22427876) has the molecular formula C21H23N3O2S and a molecular weight of 381.50 g/mol. Its IUPAC name is N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine.

Molecular Properties

Compound NameN-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
PubChem CID22427876
Molecular FormulaC21H23N3O2S
Molecular Weight381.50 g/mol
Exact Mass381.15
IUPAC NameN-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine
SMILESCOc1ccc2c(c1)sc1nc(-c3ccc(C)o3)c(NC3CCCCC3)n12
InChIInChI=1S/C21H23N3O2S/c1-13-8-11-17(26-13)19-20(22-14-6-4-3-5-7-14)24-16-10-9-15(25-2)12-18(16)27-21(24)23-19/h8-12,14,22H,3-7H2,1-2H3
InChIKeyGABBJWANTMPTEL-UHFFFAOYSA-N
XLogP5.87
TPSA51.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.50
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The IUPAC name of N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine (CID 22427876) is N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine.
What is the SMILES notation for N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The canonical SMILES for N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine is COc1ccc2c(c1)sc1nc(-c3ccc(C)o3)c(NC3CCCCC3)n12.
What is the InChIKey of N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
The InChIKey is GABBJWANTMPTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2S/c1-13-8-11-17(26-13)19-20(22-14-6-4-3-5-7-14)24-16-10-9-15(25-2)12-18(16)27-21(24)23-19/h8-12,14,22H,3-7H2,1-2H3.
What are the key properties of N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine?
N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine has a molecular weight of 381.50 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-methoxy-2-(5-methylfuran-2-yl)imidazo[2,1-b][1,3]benzothiazol-1-amine is sourced from PubChem (CID 22427876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).