N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C11H11N3O2S2 — CID 126471162

IUPACN-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NC1CC1
InChIInChI=1S/C11H11N3O2S2/c1-17-9-7(8(15)12-6-2-3-6)10(16)14-4-5-18-11(14)13-9/h4-6H,2-3H2,1H3,(H,12,15)
InChIKeyLYULONKJCOCEIS-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.37
Rot. Bonds3

About N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126471162) has the molecular formula C11H11N3O2S2 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126471162
Molecular FormulaC11H11N3O2S2
Molecular Weight281.36 g/mol
Exact Mass281.03
IUPAC NameN-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCSc1nc2sccn2c(=O)c1C(=O)NC1CC1
InChIInChI=1S/C11H11N3O2S2/c1-17-9-7(8(15)12-6-2-3-6)10(16)14-4-5-18-11(14)13-9/h4-6H,2-3H2,1H3,(H,12,15)
InChIKeyLYULONKJCOCEIS-UHFFFAOYSA-N
XLogP1.37
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylic acid
CID 14319826
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470388
7-methylsulfanyl-5-oxo-N-[(2-phenoxyphenyl)methyl]-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470169
N-(3-methylcyclopentyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 114549960
7-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126470636
7-ethylsulfanyl-N-(3-imidazol-1-ylpropyl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126469570
N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63813892
N-[3-[(2R)-2-ethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135938792
N-cyclohexyl-2,4-dimethyl-6-methylsulfanylpyrimidine-5-carboxamide
CID 64593244
7-ethyl-N-(1-hydroxybutan-2-yl)-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 126471247
N-[3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]propyl]-7-hydroxy-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 135938794
6-methyl-N-[(3R)-piperidin-3-yl]imidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 66639497

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126471162) is N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CSc1nc2sccn2c(=O)c1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is LYULONKJCOCEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S2/c1-17-9-7(8(15)12-6-2-3-6)10(16)14-4-5-18-11(14)13-9/h4-6H,2-3H2,1H3,(H,12,15).
What are the key properties of N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7-methylsulfanyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126471162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).