N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide

C17H12N4O3S3 — CID 23613200

IUPACN-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide
SMILESO=C(CSc1nc2ccc(NC(=O)c3ccco3)cc2s1)Nc1nccs1
InChIInChI=1S/C17H12N4O3S3/c22-14(21-16-18-5-7-25-16)9-26-17-20-11-4-3-10(8-13(11)27-17)19-15(23)12-2-1-6-24-12/h1-8H,9H2,(H,19,23)(H,18,21,22)
InChIKeyUADUDZHZHKJCNZ-UHFFFAOYSA-N
MW416.51 g/mol
LogP4.33
Rot. Bonds6

About N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide

N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide (PubChem CID 23613200) has the molecular formula C17H12N4O3S3 and a molecular weight of 416.51 g/mol. Its IUPAC name is N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide
PubChem CID23613200
Molecular FormulaC17H12N4O3S3
Molecular Weight416.51 g/mol
Exact Mass416.01
IUPAC NameN-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide
SMILESO=C(CSc1nc2ccc(NC(=O)c3ccco3)cc2s1)Nc1nccs1
InChIInChI=1S/C17H12N4O3S3/c22-14(21-16-18-5-7-25-16)9-26-17-20-11-4-3-10(8-13(11)27-17)19-15(23)12-2-1-6-24-12/h1-8H,9H2,(H,19,23)(H,18,21,22)
InChIKeyUADUDZHZHKJCNZ-UHFFFAOYSA-N
XLogP4.33
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.51
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-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

Related Compounds

3-methoxy-N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]benzamide
CID 23993091
N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]-2-phenoxyacetamide
CID 2198493
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)furan-2-carboxamide
CID 2161628
N-[2-[(2-butyl-5-oxo-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methylsulfanyl]-1,3-benzothiazol-6-yl]furan-2-carboxamide
CID 20939422
N-[4-[[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 17361346
N-[6-[(2-thiophen-2-ylacetyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 172755506
N-[3-[[4-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoyl]amino]phenyl]furan-2-carboxamide
CID 46510563
N-[2-(2-anilino-2-oxoethyl)sulfanyl-1,3-benzothiazol-6-yl]naphthalene-1-carboxamide
CID 1040778
N-[6-(naphthalene-1-carbonylamino)-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127363
2-[1-(1,3-benzothiazol-2-yl)-2-(furan-2-yl)ethenyl]sulfanyl-N-(1,3-thiazol-2-yl)acetamide
CID 4792843
N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127294
N-[[4-ethyl-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide
CID 6495373

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide?
The IUPAC name of N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide (CID 23613200) is N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide?
The canonical SMILES for N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide is O=C(CSc1nc2ccc(NC(=O)c3ccco3)cc2s1)Nc1nccs1.
What is the InChIKey of N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide?
The InChIKey is UADUDZHZHKJCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O3S3/c22-14(21-16-18-5-7-25-16)9-26-17-20-11-4-3-10(8-13(11)27-17)19-15(23)12-2-1-6-24-12/h1-8H,9H2,(H,19,23)(H,18,21,22).
What are the key properties of N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide?
N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide has a molecular weight of 416.51 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,3-benzothiazol-6-yl]furan-2-carboxamide is sourced from PubChem (CID 23613200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).