1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol

C23H23N5O2S — CID 46208936

IUPAC1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C23H23N5O2S/c1-23(29)10-14-28(15-11-23)20-21(25-13-12-24-20)30-17-8-6-16(7-9-17)26-22-27-18-4-2-3-5-19(18)31-22/h2-9,12-13,29H,10-11,14-15H2,1H3,(H,26,27)
InChIKeyPODKIINFHOBJKF-UHFFFAOYSA-N
MW433.54 g/mol
LogP4.97
Rot. Bonds5

About 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol

1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol (PubChem CID 46208936) has the molecular formula C23H23N5O2S and a molecular weight of 433.54 g/mol. Its IUPAC name is 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol
PubChem CID46208936
Molecular FormulaC23H23N5O2S
Molecular Weight433.54 g/mol
Exact Mass433.16
IUPAC Name1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol
SMILESCC1(O)CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C23H23N5O2S/c1-23(29)10-14-28(15-11-23)20-21(25-13-12-24-20)30-17-8-6-16(7-9-17)26-22-27-18-4-2-3-5-19(18)31-22/h2-9,12-13,29H,10-11,14-15H2,1H3,(H,26,27)
InChIKeyPODKIINFHOBJKF-UHFFFAOYSA-N
XLogP4.97
TPSA83.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.54
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-ol
CID 46209047
1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidine-4-carboxamide
CID 46209274
1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]azetidine-3-carboxylic acid
CID 46209166
[1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]azetidin-3-yl] hydrogen carbonate
CID 89075218
N-[4-[3-(4-methylpiperidin-4-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
CID 141270484
1-[6-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-5-morpholin-4-ylpyrazin-2-yl]-2-[1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]propan-2-ol
CID 91550215
1-[4-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-1-yl]propane-1,2-diol
CID 90968858
N-[4-[[3-(4-aminophenyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
CID 89070047
N-[4-[[3-[(1R,3S)-3-methylcyclopentyl]-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
CID 89070042
4-[2-[4-(1,3-benzothiazol-2-ylamino)phenoxy]-3-pyridinyl]-1-methylpyrrolidin-2-one
CID 59327045
4-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]cyclohexan-1-one
CID 89117486
N-[4-[[3-(6-chloro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
CID 59326991

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol?
The IUPAC name of 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol (CID 46208936) is 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol?
The canonical SMILES for 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol is CC1(O)CCN(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol?
The InChIKey is PODKIINFHOBJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2S/c1-23(29)10-14-28(15-11-23)20-21(25-13-12-24-20)30-17-8-6-16(7-9-17)26-22-27-18-4-2-3-5-19(18)31-22/h2-9,12-13,29H,10-11,14-15H2,1H3,(H,26,27).
What are the key properties of 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol?
1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol has a molecular weight of 433.54 g/mol, XLogP of 4.97, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(1,3-benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]-4-methylpiperidin-4-ol is sourced from PubChem (CID 46208936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).