2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

C18H17FN4S — CID 133477344

IUPAC2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCc1cncc(NC2CCCc3sc(-c4ccc(F)cc4)nc32)n1
InChIInChI=1S/C18H17FN4S/c1-11-9-20-10-16(21-11)22-14-3-2-4-15-17(14)23-18(24-15)12-5-7-13(19)8-6-12/h5-10,14H,2-4H2,1H3,(H,21,22)
InChIKeyJVWFLSNCKAQCAR-UHFFFAOYSA-N
MW340.43 g/mol
LogP4.54
Rot. Bonds3

About 2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine

2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (PubChem CID 133477344) has the molecular formula C18H17FN4S and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
PubChem CID133477344
Molecular FormulaC18H17FN4S
Molecular Weight340.43 g/mol
Exact Mass340.12
IUPAC Name2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
SMILESCc1cncc(NC2CCCc3sc(-c4ccc(F)cc4)nc32)n1
InChIInChI=1S/C18H17FN4S/c1-11-9-20-10-16(21-11)22-14-3-2-4-15-17(14)23-18(24-15)12-5-7-13(19)8-6-12/h5-10,14H,2-4H2,1H3,(H,21,22)
InChIKeyJVWFLSNCKAQCAR-UHFFFAOYSA-N
XLogP4.54
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The IUPAC name of 2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine (CID 133477344) is 2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The canonical SMILES for 2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is Cc1cncc(NC2CCCc3sc(-c4ccc(F)cc4)nc32)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
The InChIKey is JVWFLSNCKAQCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4S/c1-11-9-20-10-16(21-11)22-14-3-2-4-15-17(14)23-18(24-15)12-5-7-13(19)8-6-12/h5-10,14H,2-4H2,1H3,(H,21,22).
What are the key properties of 2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine?
2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine has a molecular weight of 340.43 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(6-methylpyrazin-2-yl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine is sourced from PubChem (CID 133477344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).