N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide

C17H13N5O3S — CID 55728865

IUPACN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cn1
InChIInChI=1S/C17H13N5O3S/c18-15(23)9-22-8-10(7-19-22)20-16(24)12-5-6-13(25-12)17-21-11-3-1-2-4-14(11)26-17/h1-8H,9H2,(H2,18,23)(H,20,24)
InChIKeyFLRAPURJLJQYIT-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.49
Rot. Bonds5

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide (PubChem CID 55728865) has the molecular formula C17H13N5O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
PubChem CID55728865
Molecular FormulaC17H13N5O3S
Molecular Weight367.39 g/mol
Exact Mass367.07
IUPAC NameN-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
SMILESNC(=O)Cn1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cn1
InChIInChI=1S/C17H13N5O3S/c18-15(23)9-22-8-10(7-19-22)20-16(24)12-5-6-13(25-12)17-21-11-3-1-2-4-14(11)26-17/h1-8H,9H2,(H2,18,23)(H,20,24)
InChIKeyFLRAPURJLJQYIT-UHFFFAOYSA-N
XLogP2.49
TPSA116.04 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-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-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide (CID 55728865) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide is NC(=O)Cn1cc(NC(=O)c2ccc(-c3nc4ccccc4s3)o2)cn1.
What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
The InChIKey is FLRAPURJLJQYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O3S/c18-15(23)9-22-8-10(7-19-22)20-16(24)12-5-6-13(25-12)17-21-11-3-1-2-4-14(11)26-17/h1-8H,9H2,(H2,18,23)(H,20,24).
What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide?
N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide has a molecular weight of 367.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide is sourced from PubChem (CID 55728865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).