2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone

C17H19N5O2S2 — CID 127274827

IUPAC2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(C1CSCN1C(=O)Cc1csc(-c2cnccn2)n1)N1CCCC1
InChIInChI=1S/C17H19N5O2S2/c23-15(7-12-9-26-16(20-12)13-8-18-3-4-19-13)22-11-25-10-14(22)17(24)21-5-1-2-6-21/h3-4,8-9,14H,1-2,5-7,10-11H2
InChIKeySNBZUCRAMQLZAS-UHFFFAOYSA-N
MW389.51 g/mol
LogP1.67
Rot. Bonds4

About 2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone

2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone (PubChem CID 127274827) has the molecular formula C17H19N5O2S2 and a molecular weight of 389.51 g/mol. Its IUPAC name is 2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone.

Molecular Properties

Compound Name2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
PubChem CID127274827
Molecular FormulaC17H19N5O2S2
Molecular Weight389.51 g/mol
Exact Mass389.10
IUPAC Name2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone
SMILESO=C(C1CSCN1C(=O)Cc1csc(-c2cnccn2)n1)N1CCCC1
InChIInChI=1S/C17H19N5O2S2/c23-15(7-12-9-26-16(20-12)13-8-18-3-4-19-13)22-11-25-10-14(22)17(24)21-5-1-2-6-21/h3-4,8-9,14H,1-2,5-7,10-11H2
InChIKeySNBZUCRAMQLZAS-UHFFFAOYSA-N
XLogP1.67
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.51
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[2-[(2-bromophenyl)methyl]pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone
CID 166342179
1-[2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)ethanone
CID 86883484
1-(azepan-1-yl)-2-(2-pyridin-4-yl-1,3-thiazol-4-yl)ethanone
CID 39080861
benzyl 2-[2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)acetyl]pyrazolidine-1-carboxylate
CID 3538502
2-methyl-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 121497616
(2R)-1-(2-pyrazin-2-yl-1,3-thiazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120537472
(2R)-N-[(2-pyrazin-2-yl-1,3-thiazol-4-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125441316
ethyl 3-(2-pyrazin-2-yl-1,3-thiazol-4-yl)propanoate
CID 103485378
2-[2-(pyridin-3-yloxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 110342050
4-(chloromethyl)-2-pyrazin-2-yl-1,3-thiazole
CID 23025076
3,3-dimethyl-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]butan-1-one
CID 42749081
2-phenoxy-1-[(2R)-2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)piperidin-1-yl]ethanone
CID 158248873

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The IUPAC name of 2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone (CID 127274827) is 2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone.
What is the SMILES notation for 2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The canonical SMILES for 2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone is O=C(C1CSCN1C(=O)Cc1csc(-c2cnccn2)n1)N1CCCC1.
What is the InChIKey of 2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
The InChIKey is SNBZUCRAMQLZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S2/c23-15(7-12-9-26-16(20-12)13-8-18-3-4-19-13)22-11-25-10-14(22)17(24)21-5-1-2-6-21/h3-4,8-9,14H,1-2,5-7,10-11H2.
What are the key properties of 2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone?
2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone has a molecular weight of 389.51 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrazin-2-yl-1,3-thiazol-4-yl)-1-[4-(pyrrolidine-1-carbonyl)-1,3-thiazolidin-3-yl]ethanone is sourced from PubChem (CID 127274827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).