2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide

C11H11N5O3S — CID 43593297

IUPAC2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1nc2c(s1)CNCC2)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H11N5O3S/c17-8-3-6(13-10(19)15-8)9(18)16-11-14-5-1-2-12-4-7(5)20-11/h3,12H,1-2,4H2,(H,14,16,18)(H2,13,15,17,19)
InChIKeyLWOQQTRGNZMBNH-UHFFFAOYSA-N
MW293.31 g/mol
LogP-0.58
Rot. Bonds2

About 2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide

2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide (PubChem CID 43593297) has the molecular formula C11H11N5O3S and a molecular weight of 293.31 g/mol. Its IUPAC name is 2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide
PubChem CID43593297
Molecular FormulaC11H11N5O3S
Molecular Weight293.31 g/mol
Exact Mass293.06
IUPAC Name2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide
SMILESO=C(Nc1nc2c(s1)CNCC2)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C11H11N5O3S/c17-8-3-6(13-10(19)15-8)9(18)16-11-14-5-1-2-12-4-7(5)20-11/h3,12H,1-2,4H2,(H,14,16,18)(H2,13,15,17,19)
InChIKeyLWOQQTRGNZMBNH-UHFFFAOYSA-N
XLogP-0.58
TPSA119.74 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 5-0.58
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-3-carboxamide
CID 66128632
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrimidine-5-carboxamide
CID 102922199
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiadiazole-5-carboxamide
CID 43593229
2,5-dichloro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593378
2-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,3-thiazole-4-carboxamide
CID 65199010
4-nitro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593216
N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyridine-2-carboxamide;hydrochloride
CID 71778985
4-chloro-2-hydroxy-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 43593292
3-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)thiophene-2-carboxamide
CID 43593340
2,2,2-trifluoro-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 63105367
1-(3,5-dichlorophenyl)-3-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
CID 107653982
2-methoxy-5-methyl-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 62505797

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide?
The IUPAC name of 2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide (CID 43593297) is 2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide is O=C(Nc1nc2c(s1)CNCC2)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of 2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide?
The InChIKey is LWOQQTRGNZMBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3S/c17-8-3-6(13-10(19)15-8)9(18)16-11-14-5-1-2-12-4-7(5)20-11/h3,12H,1-2,4H2,(H,14,16,18)(H2,13,15,17,19).
What are the key properties of 2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide?
2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide has a molecular weight of 293.31 g/mol, XLogP of -0.58, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-N-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 43593297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).