[4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone

C19H16ClN3O2S — CID 59662158

IUPAC[4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cncc(-c3ccc(Cl)s3)n2)cc1)N1CCOCC1
InChIInChI=1S/C19H16ClN3O2S/c20-18-6-5-17(26-18)16-12-21-11-15(22-16)13-1-3-14(4-2-13)19(24)23-7-9-25-10-8-23/h1-6,11-12H,7-10H2
InChIKeyCLCQSXANWVANNY-UHFFFAOYSA-N
MW385.88 g/mol
LogP4.00
Rot. Bonds3

About [4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone

[4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 59662158) has the molecular formula C19H16ClN3O2S and a molecular weight of 385.88 g/mol. Its IUPAC name is [4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID59662158
Molecular FormulaC19H16ClN3O2S
Molecular Weight385.88 g/mol
Exact Mass385.07
IUPAC Name[4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2cncc(-c3ccc(Cl)s3)n2)cc1)N1CCOCC1
InChIInChI=1S/C19H16ClN3O2S/c20-18-6-5-17(26-18)16-12-21-11-15(22-16)13-1-3-14(4-2-13)19(24)23-7-9-25-10-8-23/h1-6,11-12H,7-10H2
InChIKeyCLCQSXANWVANNY-UHFFFAOYSA-N
XLogP4.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.88
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone (CID 59662158) is [4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2cncc(-c3ccc(Cl)s3)n2)cc1)N1CCOCC1.
What is the InChIKey of [4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is CLCQSXANWVANNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O2S/c20-18-6-5-17(26-18)16-12-21-11-15(22-16)13-1-3-14(4-2-13)19(24)23-7-9-25-10-8-23/h1-6,11-12H,7-10H2.
What are the key properties of [4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone?
[4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 385.88 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[6-(5-chlorothiophen-2-yl)pyrazin-2-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 59662158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).