[4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

C13H17N5O2S — CID 110814149

IUPAC[4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(c1cnccn1)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C13H17N5O2S/c19-12(10-7-14-1-2-15-10)17-3-5-18(6-4-17)13(20)11-8-21-9-16-11/h1-2,7,11,16H,3-6,8-9H2
InChIKeySMEMZFMBUQULHV-UHFFFAOYSA-N
MW307.38 g/mol
LogP-0.58
Rot. Bonds2

About [4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone

[4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (PubChem CID 110814149) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is [4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.

Molecular Properties

Compound Name[4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
PubChem CID110814149
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name[4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
SMILESO=C(c1cnccn1)N1CCN(C(=O)C2CSCN2)CC1
InChIInChI=1S/C13H17N5O2S/c19-12(10-7-14-1-2-15-10)17-3-5-18(6-4-17)13(20)11-8-21-9-16-11/h1-2,7,11,16H,3-6,8-9H2
InChIKeySMEMZFMBUQULHV-UHFFFAOYSA-N
XLogP-0.58
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 5-0.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110808440
[4-(azetidin-3-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 66203494
(2R)-4-(pyrazine-2-carbonyl)piperazine-2-carboxylic acid
CID 97169281
[4-(pyridin-4-ylmethyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 60937367
[4-(2-methylbenzoyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone
CID 110802108
(1,1-dioxo-1,4-thiazinan-4-yl)-pyrazin-2-ylmethanone
CID 110743459
1-[4-[4-(pyrazine-2-carbonyl)-1,4-diazepane-1-carbonyl]piperidin-1-yl]ethanone
CID 110816085
2-chloro-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]propan-1-one
CID 108569993
1-(pyrazine-2-carbonyl)-1,4-diazepan-5-one
CID 62046605
1,3,4,6,7,8,9,9a-octahydropyrazino[1,2-a]pyrazin-2-yl(pyrazin-2-yl)methanone
CID 141072428
[4-(2-hydroxyethyl)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 121200756
N-cyclopentyl-4-(1,3-thiazolidine-4-carbonyl)piperazine-1-carboxamide
CID 110812155

Frequently Asked Questions

What is the IUPAC name of [4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The IUPAC name of [4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone (CID 110814149) is [4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone.
What is the SMILES notation for [4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The canonical SMILES for [4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is O=C(c1cnccn1)N1CCN(C(=O)C2CSCN2)CC1.
What is the InChIKey of [4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
The InChIKey is SMEMZFMBUQULHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c19-12(10-7-14-1-2-15-10)17-3-5-18(6-4-17)13(20)11-8-21-9-16-11/h1-2,7,11,16H,3-6,8-9H2.
What are the key properties of [4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone?
[4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone has a molecular weight of 307.38 g/mol, XLogP of -0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(pyrazine-2-carbonyl)piperazin-1-yl]-(1,3-thiazolidin-4-yl)methanone is sourced from PubChem (CID 110814149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).