(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone

C19H18ClFN6OS — CID 11532113

IUPAC(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1F)N1CCN(Cc2cncc(Nc3nccs3)n2)CC1
InChIInChI=1S/C19H18ClFN6OS/c20-15-3-1-2-14(17(15)21)18(28)27-7-5-26(6-8-27)12-13-10-22-11-16(24-13)25-19-23-4-9-29-19/h1-4,9-11H,5-8,12H2,(H,23,24,25)
InChIKeyYORXMZWXJDVILY-UHFFFAOYSA-N
MW432.91 g/mol
LogP3.43
Rot. Bonds5

About (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone

(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone (PubChem CID 11532113) has the molecular formula C19H18ClFN6OS and a molecular weight of 432.91 g/mol. Its IUPAC name is (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone
PubChem CID11532113
Molecular FormulaC19H18ClFN6OS
Molecular Weight432.91 g/mol
Exact Mass432.09
IUPAC Name(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(Cl)c1F)N1CCN(Cc2cncc(Nc3nccs3)n2)CC1
InChIInChI=1S/C19H18ClFN6OS/c20-15-3-1-2-14(17(15)21)18(28)27-7-5-26(6-8-27)12-13-10-22-11-16(24-13)25-19-23-4-9-29-19/h1-4,9-11H,5-8,12H2,(H,23,24,25)
InChIKeyYORXMZWXJDVILY-UHFFFAOYSA-N
XLogP3.43
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.91
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone (CID 11532113) is (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone is O=C(c1cccc(Cl)c1F)N1CCN(Cc2cncc(Nc3nccs3)n2)CC1.
What is the InChIKey of (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is YORXMZWXJDVILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFN6OS/c20-15-3-1-2-14(17(15)21)18(28)27-7-5-26(6-8-27)12-13-10-22-11-16(24-13)25-19-23-4-9-29-19/h1-4,9-11H,5-8,12H2,(H,23,24,25).
What are the key properties of (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone?
(3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 432.91 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-2-fluorophenyl)-[4-[[6-(1,3-thiazol-2-ylamino)pyrazin-2-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 11532113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).