N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

C19H14N6O3S2 — CID 24591958

IUPACN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)NCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C19H14N6O3S2/c26-16(11-24-19(27)25(23-22-24)17-6-3-9-29-17)20-10-12-7-8-14(28-12)18-21-13-4-1-2-5-15(13)30-18/h1-9H,10-11H2,(H,20,26)
InChIKeyLESHRKCYFSSJBJ-UHFFFAOYSA-N
MW438.49 g/mol
LogP2.68
Rot. Bonds6

About N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (PubChem CID 24591958) has the molecular formula C19H14N6O3S2 and a molecular weight of 438.49 g/mol. Its IUPAC name is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
PubChem CID24591958
Molecular FormulaC19H14N6O3S2
Molecular Weight438.49 g/mol
Exact Mass438.06
IUPAC NameN-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
SMILESO=C(Cn1nnn(-c2cccs2)c1=O)NCc1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C19H14N6O3S2/c26-16(11-24-19(27)25(23-22-24)17-6-3-9-29-17)20-10-12-7-8-14(28-12)18-21-13-4-1-2-5-15(13)30-18/h1-9H,10-11H2,(H,20,26)
InChIKeyLESHRKCYFSSJBJ-UHFFFAOYSA-N
XLogP2.68
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.49
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]acetamide
CID 46456159
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 55489731
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-4-(1,3-dioxoisoindol-2-yl)butanamide
CID 46464153
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-3-(4-oxocinnolin-1-yl)propanamide
CID 52545504
4-amino-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]pentanamide
CID 120559538
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[(4S)-2',5'-dioxospiro[6,7-dihydro-5H-1-benzothiophene-4,4'-imidazolidine]-1'-yl]acetamide
CID 40794670
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(3-fluorophenyl)acetamide
CID 24586235
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 24586248
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-5-oxo-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 46455964
2,2,2-trifluoroethyl N-[2-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methylamino]-2-oxoethyl]carbamate
CID 78905322
N-[[4-(4-fluorophenoxy)phenyl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide
CID 18131472
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-1-prop-2-ynylpiperidine-4-carboxamide
CID 55987216

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The IUPAC name of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide (CID 24591958) is N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The canonical SMILES for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is O=C(Cn1nnn(-c2cccs2)c1=O)NCc1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
The InChIKey is LESHRKCYFSSJBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N6O3S2/c26-16(11-24-19(27)25(23-22-24)17-6-3-9-29-17)20-10-12-7-8-14(28-12)18-21-13-4-1-2-5-15(13)30-18/h1-9H,10-11H2,(H,20,26).
What are the key properties of N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide?
N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide has a molecular weight of 438.49 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]-2-(5-oxo-4-thiophen-2-yltetrazol-1-yl)acetamide is sourced from PubChem (CID 24591958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).