1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide

C11H13N5OS2 — CID 133424932

IUPAC1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
SMILESCSc1nc2ncnc(N3CCCC3C(N)=O)c2s1
InChIInChI=1S/C11H13N5OS2/c1-18-11-15-9-7(19-11)10(14-5-13-9)16-4-2-3-6(16)8(12)17/h5-6H,2-4H2,1H3,(H2,12,17)
InChIKeyLUMPHMJEHJURHJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP1.26
Rot. Bonds3

About 1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide

1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide (PubChem CID 133424932) has the molecular formula C11H13N5OS2 and a molecular weight of 295.39 g/mol. Its IUPAC name is 1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
PubChem CID133424932
Molecular FormulaC11H13N5OS2
Molecular Weight295.39 g/mol
Exact Mass295.06
IUPAC Name1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide
SMILESCSc1nc2ncnc(N3CCCC3C(N)=O)c2s1
InChIInChI=1S/C11H13N5OS2/c1-18-11-15-9-7(19-11)10(14-5-13-9)16-4-2-3-6(16)8(12)17/h5-6H,2-4H2,1H3,(H2,12,17)
InChIKeyLUMPHMJEHJURHJ-UHFFFAOYSA-N
XLogP1.26
TPSA85.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

7-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidine
CID 133354561
1-(6-chloro-5-methylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 63736298
methyl 3-methyl-1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-3-carboxylate
CID 133430325
(2S)-1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 9113223
1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 103323978
1-(7-chloro-4-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2-carboxamide
CID 154829671
1-(6-hydrazinylpyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 80932532
1-(5-amino-3-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 62477721
1-[5-methyl-2-(methylamino)pyrimidin-4-yl]pyrrolidine-2-carboxamide
CID 80765393
1-(6-chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 54592642
2-(2-carbamoylpyrrolidin-1-yl)-3-fluoropyridine-4-carboxylic acid
CID 105381860
N-[2-[(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)amino]ethyl]cyclopropanecarboxamide
CID 133305779

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide (CID 133424932) is 1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide is CSc1nc2ncnc(N3CCCC3C(N)=O)c2s1.
What is the InChIKey of 1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide?
The InChIKey is LUMPHMJEHJURHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5OS2/c1-18-11-15-9-7(19-11)10(14-5-13-9)16-4-2-3-6(16)8(12)17/h5-6H,2-4H2,1H3,(H2,12,17).
What are the key properties of 1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide?
1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide has a molecular weight of 295.39 g/mol, XLogP of 1.26, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanyl-[1,3]thiazolo[4,5-d]pyrimidin-7-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 133424932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).