N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide

C17H12N4O3S — CID 121090557

IUPACN-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H12N4O3S/c22-15(20-17-19-11-4-1-2-6-14(11)25-17)9-21-10-18-12(8-16(21)23)13-5-3-7-24-13/h1-8,10H,9H2,(H,19,20,22)
InChIKeyGJXAFAGXUIYYNU-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.75
Rot. Bonds4

About N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide

N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 121090557) has the molecular formula C17H12N4O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID121090557
Molecular FormulaC17H12N4O3S
Molecular Weight352.38 g/mol
Exact Mass352.06
IUPAC NameN-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)Nc1nc2ccccc2s1
InChIInChI=1S/C17H12N4O3S/c22-15(20-17-19-11-4-1-2-6-14(11)25-17)9-21-10-18-12(8-16(21)23)13-5-3-7-24-13/h1-8,10H,9H2,(H,19,20,22)
InChIKeyGJXAFAGXUIYYNU-UHFFFAOYSA-N
XLogP2.75
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(4-butyl-6-oxopyrimidin-1-yl)acetamide
CID 121063537
N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090675
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-quinolin-6-ylacetamide
CID 121090721
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide
CID 121090653
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
N-(1,3-benzothiazol-2-yl)-2-(2-oxo-1-pyridinyl)acetamide
CID 8571610
N-(1,3-benzothiazol-2-yl)-2-(4,5-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 43952352
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090685
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 121090531
N-(1,3-benzothiazol-2-yl)-2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]propanamide
CID 121076019
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
CID 121090719
N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090581

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide (CID 121090557) is N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide is O=C(Cn1cnc(-c2ccco2)cc1=O)Nc1nc2ccccc2s1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is GJXAFAGXUIYYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S/c22-15(20-17-19-11-4-1-2-6-14(11)25-17)9-21-10-18-12(8-16(21)23)13-5-3-7-24-13/h1-8,10H,9H2,(H,19,20,22).
What are the key properties of N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 352.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 121090557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).