N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

C12H17N3O3S — CID 3873686

IUPACN-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(COC)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H17N3O3S/c1-3-8(7-18-2)14-10(16)9-6-13-12-15(11(9)17)4-5-19-12/h6,8H,3-5,7H2,1-2H3,(H,14,16)
InChIKeyVFXDAEWIFAVRLW-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.50
Rot. Bonds5

About N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide

N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (PubChem CID 3873686) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
PubChem CID3873686
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC NameN-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
SMILESCCC(COC)NC(=O)c1cnc2n(c1=O)CCS2
InChIInChI=1S/C12H17N3O3S/c1-3-8(7-18-2)14-10(16)9-6-13-12-15(11(9)17)4-5-19-12/h6,8H,3-5,7H2,1-2H3,(H,14,16)
InChIKeyVFXDAEWIFAVRLW-UHFFFAOYSA-N
XLogP0.50
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The IUPAC name of N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide (CID 3873686) is N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is CCC(COC)NC(=O)c1cnc2n(c1=O)CCS2.
What is the InChIKey of N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
The InChIKey is VFXDAEWIFAVRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-3-8(7-18-2)14-10(16)9-6-13-12-15(11(9)17)4-5-19-12/h6,8H,3-5,7H2,1-2H3,(H,14,16).
What are the key properties of N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide?
N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide has a molecular weight of 283.35 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3873686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).