2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

C18H15N3O2S — CID 36655716

IUPAC2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1csc(-c2ccco2)n1
InChIInChI=1S/C18H15N3O2S/c22-17(15-11-24-18(21-15)16-6-3-9-23-16)19-8-7-12-10-20-14-5-2-1-4-13(12)14/h1-6,9-11,20H,7-8H2,(H,19,22)
InChIKeyHGLJMXNLPPHGIR-UHFFFAOYSA-N
MW337.40 g/mol
LogP3.86
Rot. Bonds5

About 2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 36655716) has the molecular formula C18H15N3O2S and a molecular weight of 337.40 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID36655716
Molecular FormulaC18H15N3O2S
Molecular Weight337.40 g/mol
Exact Mass337.09
IUPAC Name2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESO=C(NCCc1c[nH]c2ccccc12)c1csc(-c2ccco2)n1
InChIInChI=1S/C18H15N3O2S/c22-17(15-11-24-18(21-15)16-6-3-9-23-16)19-8-7-12-10-20-14-5-2-1-4-13(12)14/h1-6,9-11,20H,7-8H2,(H,19,22)
InChIKeyHGLJMXNLPPHGIR-UHFFFAOYSA-N
XLogP3.86
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-2-(1-propylindol-3-yl)sulfanylacetamide
CID 3240248
N-[2-(1H-indol-3-yl)ethyl]furan-2-carboxamide
CID 744531
N-[(1Z)-1-(furan-2-yl)-3-{[2-(1H-indol-3-yl)ethyl]amino}-3-oxoprop-1-en-2-yl]furan-2-carboxamide
CID 1597875
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)propanamide
CID 582676
2-Amino-N-furan-2-ylmethyl-3-(1H-indol-3-yl)-propionamide
CID 582509
N-(furan-2-ylmethyl)-3-(1H-indol-3-yl)-2-methylpropanamide
CID 17580014
2-(1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 1243722
N-[2-(1H-indol-3-ylsulfanyl)ethyl]furan-2-carboxamide
CID 2156387
N-{2-[3-({2-[(2-furylmethyl)amino]-2-oxoethyl}thio)-1H-indol-1-yl]ethyl}-4-methoxybenzamide
CID 3243605
N-(3-{[1,3]Thiazolo[5,4-B]pyridin-2-YL}phenyl)furan-2-carboxamide
CID 3244574
N-[2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 4145602
N-(2-(3-((2-((furan-2-ylmethyl)amino)-2-oxoethyl)thio)-1H-indol-1-yl)ethyl)-2-naphthamide
CID 4279066

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 36655716) is 2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is O=C(NCCc1c[nH]c2ccccc12)c1csc(-c2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is HGLJMXNLPPHGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2S/c22-17(15-11-24-18(21-15)16-6-3-9-23-16)19-8-7-12-10-20-14-5-2-1-4-13(12)14/h1-6,9-11,20H,7-8H2,(H,19,22).
What are the key properties of 2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[2-(1H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 36655716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).