6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine

C19H22ClN5OS — CID 134465576

IUPAC6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc(CNc2cncc(Cl)n2)cc2sc(NC3CCCCC3)nc12
InChIInChI=1S/C19H22ClN5OS/c1-26-14-7-12(9-22-17-11-21-10-16(20)24-17)8-15-18(14)25-19(27-15)23-13-5-3-2-4-6-13/h7-8,10-11,13H,2-6,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyYIKBFSPDNMSVOM-UHFFFAOYSA-N
MW403.94 g/mol
LogP5.11
Rot. Bonds6

About 6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine

6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine (PubChem CID 134465576) has the molecular formula C19H22ClN5OS and a molecular weight of 403.94 g/mol. Its IUPAC name is 6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Name6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine
PubChem CID134465576
Molecular FormulaC19H22ClN5OS
Molecular Weight403.94 g/mol
Exact Mass403.12
IUPAC Name6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine
SMILESCOc1cc(CNc2cncc(Cl)n2)cc2sc(NC3CCCCC3)nc12
InChIInChI=1S/C19H22ClN5OS/c1-26-14-7-12(9-22-17-11-21-10-16(20)24-17)8-15-18(14)25-19(27-15)23-13-5-3-2-4-6-13/h7-8,10-11,13H,2-6,9H2,1H3,(H,22,24)(H,23,25)
InChIKeyYIKBFSPDNMSVOM-UHFFFAOYSA-N
XLogP5.11
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.94
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 134465552
trans-(1R,2R)-2-[[4-methoxy-6-[[(6-prop-1-ynylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-yl]amino]cyclohexan-1-ol
CID 134465573
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300
N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine
CID 142389736
6-[[(6-chloropyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine;cyclohexanol
CID 142338312
6-[(6-chloropyrazin-2-yl)methoxy]-N-cyclohexyl-1,3-benzothiazol-2-amine
CID 135156936
2-N-cyclohexyl-4-N,6-N-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 59302702
6-chloro-N-[(3,4-dimethoxy-5-prop-2-enylphenyl)methyl]pyrazin-2-amine
CID 49432897
6-chloro-N-cyclobutylpyrazin-2-amine
CID 62415214
6-chloro-N-[(3-ethyl-5-methoxyphenyl)methyl]pyrazin-2-amine
CID 89324365
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
2-(cyclohexylamino)-5-methoxy-1,3-benzothiazole-6-carboxylic acid
CID 82548346

Frequently Asked Questions

What is the IUPAC name of 6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine?
The IUPAC name of 6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine (CID 134465576) is 6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine.
What is the SMILES notation for 6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine?
The canonical SMILES for 6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine is COc1cc(CNc2cncc(Cl)n2)cc2sc(NC3CCCCC3)nc12.
What is the InChIKey of 6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine?
The InChIKey is YIKBFSPDNMSVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5OS/c1-26-14-7-12(9-22-17-11-21-10-16(20)24-17)8-15-18(14)25-19(27-15)23-13-5-3-2-4-6-13/h7-8,10-11,13H,2-6,9H2,1H3,(H,22,24)(H,23,25).
What are the key properties of 6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine?
6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine has a molecular weight of 403.94 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine is sourced from PubChem (CID 134465576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).