N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C21H20N4O3S — CID 42208478

IUPACN-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(CCc1csc(NC(=O)c2ccco2)n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H20N4O3S/c26-19(22-10-9-14-12-23-17-5-2-1-4-16(14)17)8-7-15-13-29-21(24-15)25-20(27)18-6-3-11-28-18/h1-6,11-13,23H,7-10H2,(H,22,26)(H,24,25,27)
InChIKeyUBPKHBNVSIRSPN-UHFFFAOYSA-N
MW408.48 g/mol
LogP3.76
Rot. Bonds8

About N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 42208478) has the molecular formula C21H20N4O3S and a molecular weight of 408.48 g/mol. Its IUPAC name is N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID42208478
Molecular FormulaC21H20N4O3S
Molecular Weight408.48 g/mol
Exact Mass408.13
IUPAC NameN-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESO=C(CCc1csc(NC(=O)c2ccco2)n1)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C21H20N4O3S/c26-19(22-10-9-14-12-23-17-5-2-1-4-16(14)17)8-7-15-13-29-21(24-15)25-20(27)18-6-3-11-28-18/h1-6,11-13,23H,7-10H2,(H,22,26)(H,24,25,27)
InChIKeyUBPKHBNVSIRSPN-UHFFFAOYSA-N
XLogP3.76
TPSA100.02 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 53.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 42208478) is N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide is O=C(CCc1csc(NC(=O)c2ccco2)n1)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is UBPKHBNVSIRSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O3S/c26-19(22-10-9-14-12-23-17-5-2-1-4-16(14)17)8-7-15-13-29-21(24-15)25-20(27)18-6-3-11-28-18/h1-6,11-13,23H,7-10H2,(H,22,26)(H,24,25,27).
What are the key properties of N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 3.76, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-[2-(1H-indol-3-yl)ethylamino]-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42208478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).