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

C17H18N4O3S — CID 87033245

IUPACN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCc1ccco1)NCCc1nc2ccccc2s1
InChIInChI=1S/C17H18N4O3S/c22-15(11-20-17(23)19-10-12-4-3-9-24-12)18-8-7-16-21-13-5-1-2-6-14(13)25-16/h1-6,9H,7-8,10-11H2,(H,18,22)(H2,19,20,23)
InChIKeyPWSSZXVOCFQOTQ-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.05
Rot. Bonds7

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

N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide (PubChem CID 87033245) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
PubChem CID87033245
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC NameN-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCc1ccco1)NCCc1nc2ccccc2s1
InChIInChI=1S/C17H18N4O3S/c22-15(11-20-17(23)19-10-12-4-3-9-24-12)18-8-7-16-21-13-5-1-2-6-14(13)25-16/h1-6,9H,7-8,10-11H2,(H,18,22)(H2,19,20,23)
InChIKeyPWSSZXVOCFQOTQ-UHFFFAOYSA-N
XLogP2.05
TPSA96.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1,3-benzothiazol-2-yl)propyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide
CID 86860563
[2-(furan-2-ylmethylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate
CID 2360405
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(methylamino)acetamide
CID 114996265
N-[3-[2-(1,3-benzothiazol-2-yl)ethylamino]-3-oxopropyl]furan-2-carboxamide
CID 39966747
N-[2-[[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 24543366
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-ylmethyl)-2-ethylbutanoate
CID 55646565
N-(1,3-benzothiazol-2-ylmethyl)-1-(furan-2-yl)methanamine
CID 28665164
N-[2-[2-(1,3-benzothiazol-2-yl)ethylamino]-2-oxoethyl]-3,4-dichlorobenzamide
CID 78830046
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-phenylsulfanylacetamide
CID 51207948
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 18198533
1-(1,3-benzothiazol-2-ylmethyl)-3-[3-(furan-2-ylmethoxymethyl)phenyl]urea
CID 55819421
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(1,3-benzothiazol-2-yl)benzoate
CID 2364822

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The IUPAC name of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide (CID 87033245) is N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide.
What is the SMILES notation for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The canonical SMILES for N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide is O=C(CNC(=O)NCc1ccco1)NCCc1nc2ccccc2s1.
What is the InChIKey of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
The InChIKey is PWSSZXVOCFQOTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c22-15(11-20-17(23)19-10-12-4-3-9-24-12)18-8-7-16-21-13-5-1-2-6-14(13)25-16/h1-6,9H,7-8,10-11H2,(H,18,22)(H2,19,20,23).
What are the key properties of N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide?
N-[2-(1,3-benzothiazol-2-yl)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide has a molecular weight of 358.42 g/mol, XLogP of 2.05, 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)ethyl]-2-(furan-2-ylmethylcarbamoylamino)acetamide is sourced from PubChem (CID 87033245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).