N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide

C22H21N3O4S — CID 129084297

IUPACN-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(O)C2CCOCC2)s1)c1cccc2[nH]ccc12
InChIInChI=1S/C22H21N3O4S/c26-19(13-7-11-28-12-8-13)20-18(17-5-2-10-29-17)24-22(30-20)25-21(27)15-3-1-4-16-14(15)6-9-23-16/h1-6,9-10,13,19,23,26H,7-8,11-12H2,(H,24,25,27)
InChIKeyYPBZEUDSLPCIOR-UHFFFAOYSA-N
MW423.49 g/mol
LogP4.60
Rot. Bonds5

About N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide

N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide (PubChem CID 129084297) has the molecular formula C22H21N3O4S and a molecular weight of 423.49 g/mol. Its IUPAC name is N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide
PubChem CID129084297
Molecular FormulaC22H21N3O4S
Molecular Weight423.49 g/mol
Exact Mass423.13
IUPAC NameN-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide
SMILESO=C(Nc1nc(-c2ccco2)c(C(O)C2CCOCC2)s1)c1cccc2[nH]ccc12
InChIInChI=1S/C22H21N3O4S/c26-19(13-7-11-28-12-8-13)20-18(17-5-2-10-29-17)24-22(30-20)25-21(27)15-3-1-4-16-14(15)6-9-23-16/h1-6,9-10,13,19,23,26H,7-8,11-12H2,(H,24,25,27)
InChIKeyYPBZEUDSLPCIOR-UHFFFAOYSA-N
XLogP4.60
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.49
LogP ≤ 54.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide (CID 129084297) is N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide is O=C(Nc1nc(-c2ccco2)c(C(O)C2CCOCC2)s1)c1cccc2[nH]ccc12.
What is the InChIKey of N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide?
The InChIKey is YPBZEUDSLPCIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4S/c26-19(13-7-11-28-12-8-13)20-18(17-5-2-10-29-17)24-22(30-20)25-21(27)15-3-1-4-16-14(15)6-9-23-16/h1-6,9-10,13,19,23,26H,7-8,11-12H2,(H,24,25,27).
What are the key properties of N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide?
N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 4.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)-5-[hydroxy(oxan-4-yl)methyl]-1,3-thiazol-2-yl]-1H-indole-4-carboxamide is sourced from PubChem (CID 129084297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).