methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

C18H18N4O3S2 — CID 144966010

IUPACmethyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILESCOC(=O)C1=C2CC(NS(=O)c3ccccc3)CN2C(c2nccs2)=NC1
InChIInChI=1S/C18H18N4O3S2/c1-25-18(23)14-10-20-16(17-19-7-8-26-17)22-11-12(9-15(14)22)21-27(24)13-5-3-2-4-6-13/h2-8,12,21H,9-11H2,1H3
InChIKeyMEFCECIREGFPKI-UHFFFAOYSA-N
MW402.50 g/mol
LogP1.72
Rot. Bonds5

About methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate

methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate (PubChem CID 144966010) has the molecular formula C18H18N4O3S2 and a molecular weight of 402.50 g/mol. Its IUPAC name is methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
PubChem CID144966010
Molecular FormulaC18H18N4O3S2
Molecular Weight402.50 g/mol
Exact Mass402.08
IUPAC Namemethyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate
SMILESCOC(=O)C1=C2CC(NS(=O)c3ccccc3)CN2C(c2nccs2)=NC1
InChIInChI=1S/C18H18N4O3S2/c1-25-18(23)14-10-20-16(17-19-7-8-26-17)22-11-12(9-15(14)22)21-27(24)13-5-3-2-4-6-13/h2-8,12,21H,9-11H2,1H3
InChIKeyMEFCECIREGFPKI-UHFFFAOYSA-N
XLogP1.72
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.50
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate 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 methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate (CID 144966010) is methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate is COC(=O)C1=C2CC(NS(=O)c3ccccc3)CN2C(c2nccs2)=NC1.
What is the InChIKey of methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate?
The InChIKey is MEFCECIREGFPKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S2/c1-25-18(23)14-10-20-16(17-19-7-8-26-17)22-11-12(9-15(14)22)21-27(24)13-5-3-2-4-6-13/h2-8,12,21H,9-11H2,1H3.
What are the key properties of methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate?
methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate has a molecular weight of 402.50 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(benzenesulfinamido)-1-(1,3-thiazol-2-yl)-3,5,6,7-tetrahydropyrrolo[1,2-c]pyrimidine-4-carboxylate is sourced from PubChem (CID 144966010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).