N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine

C17H10ClFN4OS — CID 46207695

IUPACN-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine
SMILESFc1cc(Oc2nccnc2Cl)ccc1Nc1nc2ccccc2s1
InChIInChI=1S/C17H10ClFN4OS/c18-15-16(21-8-7-20-15)24-10-5-6-12(11(19)9-10)22-17-23-13-3-1-2-4-14(13)25-17/h1-9H,(H,22,23)
InChIKeyGIMGXQBCZAFEOK-UHFFFAOYSA-N
MW372.81 g/mol
LogP5.41
Rot. Bonds4

About N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine

N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine (PubChem CID 46207695) has the molecular formula C17H10ClFN4OS and a molecular weight of 372.81 g/mol. Its IUPAC name is N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine.

Molecular Properties

Compound NameN-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine
PubChem CID46207695
Molecular FormulaC17H10ClFN4OS
Molecular Weight372.81 g/mol
Exact Mass372.02
IUPAC NameN-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine
SMILESFc1cc(Oc2nccnc2Cl)ccc1Nc1nc2ccccc2s1
InChIInChI=1S/C17H10ClFN4OS/c18-15-16(21-8-7-20-15)24-10-5-6-12(11(19)9-10)22-17-23-13-3-1-2-4-14(13)25-17/h1-9H,(H,22,23)
InChIKeyGIMGXQBCZAFEOK-UHFFFAOYSA-N
XLogP5.41
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.81
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine;ethane;(2-fluoro-4-pyridinyl)boronic acid
CID 143998257
N-[2-fluoro-4-[3-(oxan-4-yl)pyrazin-2-yl]oxyphenyl]-1,3-benzothiazol-2-amine
CID 59351278
4-(1,3-benzothiazol-2-ylamino)-3-fluorobenzenecarbothioamide
CID 43657843
N-(3-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 28832810
2-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazole-2,6-diamine
CID 55185596
6-bromo-N-(4-chloro-2-fluorophenyl)-1,3-benzothiazol-2-amine
CID 79533991
N-[4-(3-chloropyrazin-2-yl)oxyphenyl]-7-fluoro-1,3-benzothiazol-2-amine;2-methoxy-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 160865316
N-[4-[[3-(6-chloro-3-pyridinyl)-2-pyridinyl]oxy]phenyl]-1,3-benzothiazol-2-amine
CID 59326991
4-N-(1,3-benzothiazol-2-yl)-6-naphthalen-2-yloxypyrimidine-4,5-diamine
CID 22543666
N-(2,4-difluorophenyl)-5-fluoro-1,3-benzothiazol-2-amine
CID 43306893
N-(2-fluoro-4-methylphenyl)-6-methoxy-1,3-benzothiazol-2-amine
CID 79518712
2-(1,3-benzothiazol-2-ylamino)-5-chlorobenzenecarbothioamide
CID 63519398

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine?
The IUPAC name of N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine (CID 46207695) is N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine.
What is the SMILES notation for N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine?
The canonical SMILES for N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine is Fc1cc(Oc2nccnc2Cl)ccc1Nc1nc2ccccc2s1.
What is the InChIKey of N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine?
The InChIKey is GIMGXQBCZAFEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClFN4OS/c18-15-16(21-8-7-20-15)24-10-5-6-12(11(19)9-10)22-17-23-13-3-1-2-4-14(13)25-17/h1-9H,(H,22,23).
What are the key properties of N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine?
N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine has a molecular weight of 372.81 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-chloropyrazin-2-yl)oxy-2-fluorophenyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 46207695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).