N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide

C17H17N3O3S — CID 39966747

IUPACN-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NCCc1nc2ccccc2s1
InChIInChI=1S/C17H17N3O3S/c21-15(7-9-19-17(22)13-5-3-11-23-13)18-10-8-16-20-12-4-1-2-6-14(12)24-16/h1-6,11H,7-10H2,(H,18,21)(H,19,22)
InChIKeyRFSWDOFINGITHV-UHFFFAOYSA-N
MW343.41 g/mol
LogP2.37
Rot. Bonds7

About N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide

N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide (PubChem CID 39966747) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
PubChem CID39966747
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC NameN-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
SMILESO=C(CCNC(=O)c1ccco1)NCCc1nc2ccccc2s1
InChIInChI=1S/C17H17N3O3S/c21-15(7-9-19-17(22)13-5-3-11-23-13)18-10-8-16-20-12-4-1-2-6-14(12)24-16/h1-6,11H,7-10H2,(H,18,21)(H,19,22)
InChIKeyRFSWDOFINGITHV-UHFFFAOYSA-N
XLogP2.37
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[2-(1,3-benzothiazol-2-ylmethoxy)acetyl]amino]ethyl]furan-2-carboxamide
CID 43049275
N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24543366
N-[3-[1,3-benzothiazol-2-yl(methyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 34252979
N-[2-(1,3-benzothiazol-2-yl)ethyl]-3-(4-methylphenyl)propanamide
CID 51277050
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 18198533
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 87033245
N-[4-[2-(1,3-benzothiazol-2-yl)ethylamino]-4-oxobutyl]-4-chlorobenzamide
CID 46823942
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
3-[5-(1,3-benzothiazol-2-yl)pentanoylamino]propanoic acid
CID 119177074
2-amino-5-[2-(1,3-benzothiazol-2-yl)ethylamino]-5-oxopentanoic acid
CID 123251133
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(2,6-dichlorophenyl)acetamide
CID 9464682
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]furan-2-carboxamide
CID 110461158

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide (CID 39966747) is N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide is O=C(CCNC(=O)c1ccco1)NCCc1nc2ccccc2s1.
What is the InChIKey of N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
The InChIKey is RFSWDOFINGITHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-15(7-9-19-17(22)13-5-3-11-23-13)18-10-8-16-20-12-4-1-2-6-14(12)24-16/h1-6,11H,7-10H2,(H,18,21)(H,19,22).
What are the key properties of N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide?
N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide has a molecular weight of 343.41 g/mol, XLogP of 2.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide is sourced from PubChem (CID 39966747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).