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

C25H27N5OS — CID 134465552

IUPACN-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
SMILESCOc1cc(CNc2cncc(-c3ccccc3)n2)cc2sc(NC3CCCCC3)nc12
InChIInChI=1S/C25H27N5OS/c1-31-21-12-17(13-22-24(21)30-25(32-22)28-19-10-6-3-7-11-19)14-27-23-16-26-15-20(29-23)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,15-16,19H,3,6-7,10-11,14H2,1H3,(H,27,29)(H,28,30)
InChIKeyPFBSAEHJDSVXQF-UHFFFAOYSA-N
MW445.59 g/mol
LogP6.12
Rot. Bonds7

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

N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine (PubChem CID 134465552) has the molecular formula C25H27N5OS and a molecular weight of 445.59 g/mol. Its IUPAC name is N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
PubChem CID134465552
Molecular FormulaC25H27N5OS
Molecular Weight445.59 g/mol
Exact Mass445.19
IUPAC NameN-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
SMILESCOc1cc(CNc2cncc(-c3ccccc3)n2)cc2sc(NC3CCCCC3)nc12
InChIInChI=1S/C25H27N5OS/c1-31-21-12-17(13-22-24(21)30-25(32-22)28-19-10-6-3-7-11-19)14-27-23-16-26-15-20(29-23)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,15-16,19H,3,6-7,10-11,14H2,1H3,(H,27,29)(H,28,30)
InChIKeyPFBSAEHJDSVXQF-UHFFFAOYSA-N
XLogP6.12
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.59
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

6-[[(6-chloropyrazin-2-yl)amino]methyl]-N-cyclohexyl-4-methoxy-1,3-benzothiazol-2-amine
CID 134465576
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
N-(2-methylcyclohexyl)-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine
CID 142338325
CID 142338391
CID 142338391
4-N-cyclopentyl-6-N-[(4-methoxyphenyl)methyl]-2-phenylpyrimidine-4,6-diamine
CID 112880055
N-cyclohexyl-4-methoxy-6-[[2-[(2-methylpyrimidin-4-yl)amino]-4-pyridinyl]methoxy]-1,3-benzothiazol-2-amine
CID 142389736
N-benzyl-6-(3-methylphenyl)pyrazin-2-amine
CID 140905455
N-cycloheptyl-6-methoxy-1,3-benzothiazol-2-amine
CID 78908893
2-N-cyclohexyl-4-N,6-N-bis[(3,4,5-trimethoxyphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 59302702
N-cyclopentyl-4-methoxy-7-methyl-1,3-benzothiazol-2-amine
CID 82549533
4-methoxy-N-piperidin-4-yl-1,3-benzothiazol-2-amine
CID 82192101
5-chloro-N-cyclohexyl-6-methoxy-1,3-benzothiazol-2-amine
CID 82549300

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine (CID 134465552) is N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine is COc1cc(CNc2cncc(-c3ccccc3)n2)cc2sc(NC3CCCCC3)nc12.
What is the InChIKey of N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine?
The InChIKey is PFBSAEHJDSVXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5OS/c1-31-21-12-17(13-22-24(21)30-25(32-22)28-19-10-6-3-7-11-19)14-27-23-16-26-15-20(29-23)18-8-4-2-5-9-18/h2,4-5,8-9,12-13,15-16,19H,3,6-7,10-11,14H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine?
N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine has a molecular weight of 445.59 g/mol, XLogP of 6.12, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-methoxy-6-[[(6-phenylpyrazin-2-yl)amino]methyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 134465552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).