3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone

C19H20N4O2S — CID 110814249

IUPAC3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCCS2)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C19H20N4O2S/c24-18(15-3-4-17-14(12-15)2-1-11-26-17)22-7-9-23(10-8-22)19(25)16-13-20-5-6-21-16/h3-6,12-13H,1-2,7-11H2
InChIKeyZVVLWFWLAQMZAN-UHFFFAOYSA-N
MW368.46 g/mol
LogP2.11
Rot. Bonds2

About 3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone

3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 110814249) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone
PubChem CID110814249
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone
SMILESO=C(c1ccc2c(c1)CCCS2)N1CCN(C(=O)c2cnccn2)CC1
InChIInChI=1S/C19H20N4O2S/c24-18(15-3-4-17-14(12-15)2-1-11-26-17)22-7-9-23(10-8-22)19(25)16-13-20-5-6-21-16/h3-6,12-13H,1-2,7-11H2
InChIKeyZVVLWFWLAQMZAN-UHFFFAOYSA-N
XLogP2.11
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(3,4-dihydro-2H-thiochromene-6-carbonyl)piperazin-1-yl]ethanone
CID 110766649
3,4-dihydro-2H-thiochromen-6-yl-(4-methylsulfonyl-1,4-diazepan-1-yl)methanone
CID 110809956
ethyl 4-(3,4-dihydro-2H-thiochromene-6-carbonyl)-1,4-diazepane-1-carboxylate
CID 110809068
1,3-benzodioxol-5-yl-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816082
2,3-dihydro-1,4-benzodioxin-6-yl-[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110816095
1-[4-(3,4-dihydro-2H-thiochromene-6-carbonyl)-1,4-diazepan-1-yl]pentan-1-one
CID 110806760
2-propan-2-yl-5-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]isoindole-1,3-dione
CID 108534932
[4-(pyridine-2-carbonyl)piperazin-1-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 38786418
3,4-dihydro-2H-thiochromene-6-carbonyl chloride
CID 54051226
[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(2,4,5-trimethylphenyl)methanone
CID 110816131
[4-(pyrazine-2-carbonyl)-1,4-diazepan-1-yl]-(3,4,5-triethoxyphenyl)methanone
CID 108545155
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone?
The IUPAC name of 3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone (CID 110814249) is 3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone.
What is the SMILES notation for 3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone?
The canonical SMILES for 3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone is O=C(c1ccc2c(c1)CCCS2)N1CCN(C(=O)c2cnccn2)CC1.
What is the InChIKey of 3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone?
The InChIKey is ZVVLWFWLAQMZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2S/c24-18(15-3-4-17-14(12-15)2-1-11-26-17)22-7-9-23(10-8-22)19(25)16-13-20-5-6-21-16/h3-6,12-13H,1-2,7-11H2.
What are the key properties of 3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone?
3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 368.46 g/mol, XLogP of 2.11, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-thiochromen-6-yl-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 110814249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).