5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid

C12H12N4O3S — CID 166258137

IUPAC5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCc2nc3c(s2)COCC3)cn1
InChIInChI=1S/C12H12N4O3S/c17-12(18)8-3-14-10(4-13-8)15-5-11-16-7-1-2-19-6-9(7)20-11/h3-4H,1-2,5-6H2,(H,14,15)(H,17,18)
InChIKeyBQQOVGDWNSMQJU-UHFFFAOYSA-N
MW292.32 g/mol
LogP1.32
Rot. Bonds4

About 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid

5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid (PubChem CID 166258137) has the molecular formula C12H12N4O3S and a molecular weight of 292.32 g/mol. Its IUPAC name is 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
PubChem CID166258137
Molecular FormulaC12H12N4O3S
Molecular Weight292.32 g/mol
Exact Mass292.06
IUPAC Name5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NCc2nc3c(s2)COCC3)cn1
InChIInChI=1S/C12H12N4O3S/c17-12(18)8-3-14-10(4-13-8)15-5-11-16-7-1-2-19-6-9(7)20-11/h3-4H,1-2,5-6H2,(H,14,15)(H,17,18)
InChIKeyBQQOVGDWNSMQJU-UHFFFAOYSA-N
XLogP1.32
TPSA97.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

5-[(5-tert-butyl-1,3,4-thiadiazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 122054324
5-(5,6,7,8-tetrahydroquinolin-2-ylmethylamino)pyrazine-2-carboxylic acid
CID 122056848
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-(5-ethyl-1,2-oxazol-3-yl)urea
CID 138027802
1-(4-chlorothiophen-3-yl)-3-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)urea
CID 167897799
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-4-(1H-pyrazol-4-yl)benzamide
CID 139014543
5-[(6-morpholin-4-yl-2-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 122055053
5-[(4-tert-butyl-1,3-oxazol-2-yl)methylamino]pyrazine-2-carboxylic acid
CID 167786219
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-spiro[2.5]octan-2-ylurea
CID 138010208
5-[(5-fluoro-6-morpholin-4-yl-3-pyridinyl)methylamino]pyrazine-2-carboxylic acid
CID 122054908
5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455525
5-[2-(ethylsulfonylamino)ethylamino]pyrazine-2-carboxylic acid
CID 122053496
5-[[(2S)-oxolan-2-yl]methylamino]pyrazine-2-carboxylic acid
CID 166243247

Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid (CID 166258137) is 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid is O=C(O)c1cnc(NCc2nc3c(s2)COCC3)cn1.
What is the InChIKey of 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid?
The InChIKey is BQQOVGDWNSMQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O3S/c17-12(18)8-3-14-10(4-13-8)15-5-11-16-7-1-2-19-6-9(7)20-11/h3-4H,1-2,5-6H2,(H,14,15)(H,17,18).
What are the key properties of 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid?
5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid has a molecular weight of 292.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 166258137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).