6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine

C18H19ClN4OS — CID 135156936

IUPAC6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
SMILESClc1cncc(COc2ccc3nc(NC4CCCCC4)sc3c2)n1
InChIInChI=1S/C18H19ClN4OS/c19-17-10-20-9-13(21-17)11-24-14-6-7-15-16(8-14)25-18(23-15)22-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H,22,23)
InChIKeyLTIVLTADDUORDX-UHFFFAOYSA-N
MW374.90 g/mol
LogP5.06
Rot. Bonds5

About 6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine

6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine (PubChem CID 135156936) has the molecular formula C18H19ClN4OS and a molecular weight of 374.90 g/mol. Its IUPAC name is 6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
PubChem CID135156936
Molecular FormulaC18H19ClN4OS
Molecular Weight374.90 g/mol
Exact Mass374.10
IUPAC Name6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
SMILESClc1cncc(COc2ccc3nc(NC4CCCCC4)sc3c2)n1
InChIInChI=1S/C18H19ClN4OS/c19-17-10-20-9-13(21-17)11-24-14-6-7-15-16(8-14)25-18(23-15)22-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H,22,23)
InChIKeyLTIVLTADDUORDX-UHFFFAOYSA-N
XLogP5.06
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.90
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
N-cyclohexyl-6-[[5-(5-methoxy-3-pyridinyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225564
N-cyclopropyl-6-ethoxy-1,3-benzothiazol-2-amine
CID 78908969
N-cyclohexyl-6-[[5-(4-fluorophenyl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225496
6-chloro-N-cyclobutyl-1,3-benzothiazol-2-amine
CID 79525447
N-cyclohexyl-6-[[5-(1,3-thiazol-5-yl)-3-pyridinyl]oxy]-1,3-benzothiazol-2-amine
CID 89225501
6-ethoxy-N-(oxan-4-yl)-1,3-benzothiazol-2-amine
CID 79518870
N-cycloheptyl-6-methyl-1,3-benzothiazol-2-amine
CID 78908885
N-cyclopropyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908963
N-(1,1-dioxothian-4-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 79516069
N-cyclohexyl-6-[(2-pyridin-2-yl-4-pyridinyl)oxy]-1,3-benzothiazol-2-amine
CID 89325661
N-(1,1-dioxothiolan-3-yl)-6-ethoxy-1,3-benzothiazol-2-amine
CID 79518186

Frequently Asked Questions

What is the IUPAC name of 6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine (CID 135156936) is 6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine is Clc1cncc(COc2ccc3nc(NC4CCCCC4)sc3c2)n1.
What is the InChIKey of 6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
The InChIKey is LTIVLTADDUORDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4OS/c19-17-10-20-9-13(21-17)11-24-14-6-7-15-16(8-14)25-18(23-15)22-12-4-2-1-3-5-12/h6-10,12H,1-5,11H2,(H,22,23).
What are the key properties of 6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine?
6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine has a molecular weight of 374.90 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine is sourced from PubChem (CID 135156936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).