(4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide

C16H14N4O3S — CID 97084511

IUPAC(4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)N1
InChIInChI=1S/C16H14N4O3S/c21-14(11-8-18-16(22)20-11)17-7-9-5-6-12(23-9)15-19-10-3-1-2-4-13(10)24-15/h1-6,11H,7-8H2,(H,17,21)(H2,18,20,22)/t11-/m0/s1
InChIKeyGOCFYLKLDAZPJU-NSHDSACASA-N
MW342.38 g/mol
LogP1.85
Rot. Bonds4

About (4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 97084511) has the molecular formula C16H14N4O3S and a molecular weight of 342.38 g/mol. Its IUPAC name is (4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
PubChem CID97084511
Molecular FormulaC16H14N4O3S
Molecular Weight342.38 g/mol
Exact Mass342.08
IUPAC Name(4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
SMILESO=C1NC[C@@H](C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)N1
InChIInChI=1S/C16H14N4O3S/c21-14(11-8-18-16(22)20-11)17-7-9-5-6-12(23-9)15-19-10-3-1-2-4-13(10)24-15/h1-6,11H,7-8H2,(H,17,21)(H2,18,20,22)/t11-/m0/s1
InChIKeyGOCFYLKLDAZPJU-NSHDSACASA-N
XLogP1.85
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.38
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4R)-N-[[5-(2-fluorophenyl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 97080837
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
3-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119698056
(2R,3S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920446
(2S,5R)-5-(aminomethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]oxolane-2-carboxamide;hydrochloride
CID 120785081
(2S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25417264
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55987216
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(cyclopropanecarbonylamino)benzamide
CID 24586252
tert-butyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 52545787
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide
CID 119275805
2,2,2-trifluoroethyl 4-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylcarbamoyl]piperidine-1-carboxylate
CID 24618821
1-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119275804

Frequently Asked Questions

What is the IUPAC name of (4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The IUPAC name of (4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide (CID 97084511) is (4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide.
What is the SMILES notation for (4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The canonical SMILES for (4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide is O=C1NC[C@@H](C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)N1.
What is the InChIKey of (4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
The InChIKey is GOCFYLKLDAZPJU-NSHDSACASA-N. The full InChI is InChI=1S/C16H14N4O3S/c21-14(11-8-18-16(22)20-11)17-7-9-5-6-12(23-9)15-19-10-3-1-2-4-13(10)24-15/h1-6,11H,7-8H2,(H,17,21)(H2,18,20,22)/t11-/m0/s1.
What are the key properties of (4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide?
(4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 342.38 g/mol, XLogP of 1.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 97084511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).