N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide

C18H20N4O3S — CID 86860563

IUPACN-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
SMILESCC(CNC(=O)CNC(=O)NCc1ccco1)c1nc2ccccc2s1
InChIInChI=1S/C18H20N4O3S/c1-12(17-22-14-6-2-3-7-15(14)26-17)9-19-16(23)11-21-18(24)20-10-13-5-4-8-25-13/h2-8,12H,9-11H2,1H3,(H,19,23)(H2,20,21,24)
InChIKeySXTGHEYBDGIXSR-UHFFFAOYSA-N
MW372.45 g/mol
LogP2.61
Rot. Bonds7

About N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide

N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide (PubChem CID 86860563) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
PubChem CID86860563
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
SMILESCC(CNC(=O)CNC(=O)NCc1ccco1)c1nc2ccccc2s1
InChIInChI=1S/C18H20N4O3S/c1-12(17-22-14-6-2-3-7-15(14)26-17)9-19-16(23)11-21-18(24)20-10-13-5-4-8-25-13/h2-8,12H,9-11H2,1H3,(H,19,23)(H2,20,21,24)
InChIKeySXTGHEYBDGIXSR-UHFFFAOYSA-N
XLogP2.61
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)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-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 87033245
2-[[(1R)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-N-(furan-2-ylmethyl)acetamide
CID 9047433
N-[1-(1,3-benzothiazol-2-yl)ethyl]-2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanyl-N-methylbenzamide
CID 17459725
[(2S)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] (E)-3-(1,3-benzothiazol-2-yl)prop-2-enoate
CID 7905119
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-methylsulfonylpropanamide
CID 86858216
N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 97235757
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 86860574
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)sulfanyl]acetamide
CID 49312578
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(6-methoxy-1-benzofuran-3-yl)acetamide
CID 86858133
N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]-2-[[(2S)-1-methoxypropan-2-yl]-methylamino]acetamide
CID 94375513
(Z)-N-[(2R)-2-(1,3-benzothiazol-2-yl)propyl]-3-phenylprop-2-enamide
CID 97456571
3-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-2,3-dihydroxy-N-methylpropanamide
CID 110879959

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide (CID 86860563) is N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide is CC(CNC(=O)CNC(=O)NCc1ccco1)c1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The InChIKey is SXTGHEYBDGIXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-12(17-22-14-6-2-3-7-15(14)26-17)9-19-16(23)11-21-18(24)20-10-13-5-4-8-25-13/h2-8,12H,9-11H2,1H3,(H,19,23)(H2,20,21,24).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide has a molecular weight of 372.45 g/mol, XLogP of 2.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide is sourced from PubChem (CID 86860563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).