5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid

C14H16N4O3S2 — CID 135467755

IUPAC5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2S1
InChIInChI=1S/C14H16N4O3S2/c1-6-4-9(13(20)21)23-8(6)3-2-7-5-16-11-10(22-7)12(19)18-14(15)17-11/h4,7H,2-3,5H2,1H3,(H,20,21)(H4,15,16,17,18,19)/t7-/m1/s1
InChIKeyGMAGBHPGOSQIJF-SSDOTTSWSA-N
MW352.44 g/mol
LogP1.94
Rot. Bonds4

About 5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid

5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid (PubChem CID 135467755) has the molecular formula C14H16N4O3S2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid
PubChem CID135467755
Molecular FormulaC14H16N4O3S2
Molecular Weight352.44 g/mol
Exact Mass352.07
IUPAC Name5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid
SMILESCc1cc(C(=O)O)sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2S1
InChIInChI=1S/C14H16N4O3S2/c1-6-4-9(13(20)21)23-8(6)3-2-7-5-16-11-10(22-7)12(19)18-14(15)17-11/h4,7H,2-3,5H2,1H3,(H,20,21)(H4,15,16,17,18,19)/t7-/m1/s1
InChIKeyGMAGBHPGOSQIJF-SSDOTTSWSA-N
XLogP1.94
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid?
The IUPAC name of 5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid (CID 135467755) is 5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid.
What is the SMILES notation for 5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid?
The canonical SMILES for 5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid is Cc1cc(C(=O)O)sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2S1.
What is the InChIKey of 5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid?
The InChIKey is GMAGBHPGOSQIJF-SSDOTTSWSA-N. The full InChI is InChI=1S/C14H16N4O3S2/c1-6-4-9(13(20)21)23-8(6)3-2-7-5-16-11-10(22-7)12(19)18-14(15)17-11/h4,7H,2-3,5H2,1H3,(H,20,21)(H4,15,16,17,18,19)/t7-/m1/s1.
What are the key properties of 5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid?
5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid has a molecular weight of 352.44 g/mol, XLogP of 1.94, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(6R)-2-amino-4-oxo-3,6,7,8-tetrahydropyrimido[5,4-b][1,4]thiazin-6-yl]ethyl]-4-methylthiophene-2-carboxylic acid is sourced from PubChem (CID 135467755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).