ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine

C49H47FN10O3S2 — CID 143998224

IUPACethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
SMILESCC.COc1cnccc1-c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1.FCCN1CCC(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C24H24FN5OS.C23H17N5O2S.C2H6/c25-11-16-30-14-9-17(10-15-30)22-23(27-13-12-26-22)31-19-7-5-18(6-8-19)28-24-29-20-3-1-2-4-21(20)32-24;1-29-19-14-24-11-10-17(19)21-22(26-13-12-25-21)30-16-8-6-15(7-9-16)27-23-28-18-4-2-3-5-20(18)31-23;1-2/h1-8,12-13,17H,9-11,14-16H2,(H,28,29);2-14H,1H3,(H,27,28);1-2H3
InChIKeyUPFYSVVLGOFJOR-UHFFFAOYSA-N
MW907.11 g/mol
LogP12.49
Rot. Bonds13

About ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine

ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine (PubChem CID 143998224) has the molecular formula C49H47FN10O3S2 and a molecular weight of 907.11 g/mol. Its IUPAC name is ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound Nameethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
PubChem CID143998224
Molecular FormulaC49H47FN10O3S2
Molecular Weight907.11 g/mol
Exact Mass906.33
IUPAC Nameethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
SMILESCC.COc1cnccc1-c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1.FCCN1CCC(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1
InChIInChI=1S/C24H24FN5OS.C23H17N5O2S.C2H6/c25-11-16-30-14-9-17(10-15-30)22-23(27-13-12-26-22)31-19-7-5-18(6-8-19)28-24-29-20-3-1-2-4-21(20)32-24;1-29-19-14-24-11-10-17(19)21-22(26-13-12-25-21)30-16-8-6-15(7-9-16)27-23-28-18-4-2-3-5-20(18)31-23;1-2/h1-8,12-13,17H,9-11,14-16H2,(H,28,29);2-14H,1H3,(H,27,28);1-2H3
InChIKeyUPFYSVVLGOFJOR-UHFFFAOYSA-N
XLogP12.49
TPSA145.22 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500907.11
LogP ≤ 512.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine with MolForge

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Related Compounds

[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]methanol
CID 46209386
N-(4-(3-morpholinopyridin-2-yloxy)phenyl)benzo[d]thiazol-2-amine
CID 59327176
N-[4-(3-morpholin-4-ylpyrazin-2-yl)oxyphenyl]-1,3-benzothiazol-2-amine
CID 46209045
2-[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]propan-2-ol
CID 46209046
2-[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]-1,1,1-trifluoropropan-2-ol
CID 46209162
1-[1-[3-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]pyrazin-2-yl]piperidin-4-yl]ethanol
CID 59351288
N-[4-[3-[4-(methoxymethyl)piperidin-1-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
CID 59351376
N-[4-[(3'-Methoxy[3,4'-bipyridin]-2-yl)oxy]phenyl]-2-benzothiazolamine
CID 59326997
N-[4-[(4'-Methoxy[3,3'-bipyridin]-2-yl)oxy]phenyl]-2-benzothiazolamine
CID 59327238
(1s)-1-(1-{3-[4-(1,3-Benzothiazol-2-Ylamino)phenoxy]pyrazin-2-Yl}piperidin-4-Yl)ethanol
CID 70679303
N-[3-[3-(2-methoxy-3-pyridinyl)pyrazin-2-yl]oxycyclobutyl]-1,3-benzothiazol-2-amine
CID 54761909
1-[4-[2-[4-(1,3-Benzothiazol-2-ylamino)phenoxy]-3-pyridinyl]piperazin-1-yl]ethanone
CID 59326780

Frequently Asked Questions

What is the IUPAC name of ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine (CID 143998224) is ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine is CC.COc1cnccc1-c1nccnc1Oc1ccc(Nc2nc3ccccc3s2)cc1.FCCN1CCC(c2nccnc2Oc2ccc(Nc3nc4ccccc4s3)cc2)CC1.
What is the InChIKey of ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine?
The InChIKey is UPFYSVVLGOFJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5OS.C23H17N5O2S.C2H6/c25-11-16-30-14-9-17(10-15-30)22-23(27-13-12-26-22)31-19-7-5-18(6-8-19)28-24-29-20-3-1-2-4-21(20)32-24;1-29-19-14-24-11-10-17(19)21-22(26-13-12-25-21)30-16-8-6-15(7-9-16)27-23-28-18-4-2-3-5-20(18)31-23;1-2/h1-8,12-13,17H,9-11,14-16H2,(H,28,29);2-14H,1H3,(H,27,28);1-2H3.
What are the key properties of ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine?
ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine has a molecular weight of 907.11 g/mol, XLogP of 12.49, 13 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[4-[3-[1-(2-fluoroethyl)piperidin-4-yl]pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine;N-[4-[3-(3-methoxy-4-pyridinyl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 143998224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).