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

C11H11N3O2S — CID 126470509

IUPACN-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NC3CC3)cnc2s1
InChIInChI=1S/C11H11N3O2S/c1-6-5-14-10(16)8(4-12-11(14)17-6)9(15)13-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,15)
InChIKeyKMNVWXZFEYEUDY-UHFFFAOYSA-N
MW249.29 g/mol
LogP0.96
Rot. Bonds2

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

N-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 126470509) has the molecular formula C11H11N3O2S and a molecular weight of 249.29 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID126470509
Molecular FormulaC11H11N3O2S
Molecular Weight249.29 g/mol
Exact Mass249.06
IUPAC NameN-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCc1cn2c(=O)c(C(=O)NC3CC3)cnc2s1
InChIInChI=1S/C11H11N3O2S/c1-6-5-14-10(16)8(4-12-11(14)17-6)9(15)13-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,15)
InChIKeyKMNVWXZFEYEUDY-UHFFFAOYSA-N
XLogP0.96
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 126470509) is N-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is Cc1cn2c(=O)c(C(=O)NC3CC3)cnc2s1.
What is the InChIKey of N-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is KMNVWXZFEYEUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2S/c1-6-5-14-10(16)8(4-12-11(14)17-6)9(15)13-7-2-3-7/h4-5,7H,2-3H2,1H3,(H,13,15).
What are the key properties of N-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 249.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 126470509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).