5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide

C16H20N6O2S — CID 135135522

IUPAC5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3cnc(C(N)=O)cn3)C2)s1
InChIInChI=1S/C16H20N6O2S/c1-10(23)21-16-20-6-13(25-16)9-22-3-2-11(8-22)4-12-5-19-14(7-18-12)15(17)24/h5-7,11H,2-4,8-9H2,1H3,(H2,17,24)(H,20,21,23)
InChIKeyKTBOQKRFWVIYPD-UHFFFAOYSA-N
MW360.44 g/mol
LogP1.05
Rot. Bonds6

About 5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide

5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide (PubChem CID 135135522) has the molecular formula C16H20N6O2S and a molecular weight of 360.44 g/mol. Its IUPAC name is 5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
PubChem CID135135522
Molecular FormulaC16H20N6O2S
Molecular Weight360.44 g/mol
Exact Mass360.14
IUPAC Name5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3cnc(C(N)=O)cn3)C2)s1
InChIInChI=1S/C16H20N6O2S/c1-10(23)21-16-20-6-13(25-16)9-22-3-2-11(8-22)4-12-5-19-14(7-18-12)15(17)24/h5-7,11H,2-4,8-9H2,1H3,(H2,17,24)(H,20,21,23)
InChIKeyKTBOQKRFWVIYPD-UHFFFAOYSA-N
XLogP1.05
TPSA114.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
The IUPAC name of 5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide (CID 135135522) is 5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
The canonical SMILES for 5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide is CC(=O)Nc1ncc(CN2CCC(Cc3cnc(C(N)=O)cn3)C2)s1.
What is the InChIKey of 5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
The InChIKey is KTBOQKRFWVIYPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2S/c1-10(23)21-16-20-6-13(25-16)9-22-3-2-11(8-22)4-12-5-19-14(7-18-12)15(17)24/h5-7,11H,2-4,8-9H2,1H3,(H2,17,24)(H,20,21,23).
What are the key properties of 5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide?
5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-[(2-acetamido-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methyl]pyrazine-2-carboxamide is sourced from PubChem (CID 135135522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).