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

C18H14BrN3O2S — CID 167819495

IUPAC5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide
SMILESCc1c(Br)ccc2[nH]c(C(=O)NCc3csc(-c4ccco4)n3)cc12
InChIInChI=1S/C18H14BrN3O2S/c1-10-12-7-15(22-14(12)5-4-13(10)19)17(23)20-8-11-9-25-18(21-11)16-3-2-6-24-16/h2-7,9,22H,8H2,1H3,(H,20,23)
InChIKeyNSSICXDHDVLQDS-UHFFFAOYSA-N
MW416.30 g/mol
LogP4.89
Rot. Bonds4

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

5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide (PubChem CID 167819495) has the molecular formula C18H14BrN3O2S and a molecular weight of 416.30 g/mol. Its IUPAC name is 5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide
PubChem CID167819495
Molecular FormulaC18H14BrN3O2S
Molecular Weight416.30 g/mol
Exact Mass415.00
IUPAC Name5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide
SMILESCc1c(Br)ccc2[nH]c(C(=O)NCc3csc(-c4ccco4)n3)cc12
InChIInChI=1S/C18H14BrN3O2S/c1-10-12-7-15(22-14(12)5-4-13(10)19)17(23)20-8-11-9-25-18(21-11)16-3-2-6-24-16/h2-7,9,22H,8H2,1H3,(H,20,23)
InChIKeyNSSICXDHDVLQDS-UHFFFAOYSA-N
XLogP4.89
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.30
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide with MolForge

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Related Compounds

N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]piperidine-4-carboxamide
CID 119340800
2,3-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indole-5-carboxamide
CID 60778936
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide
CID 119813696
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-2-methyl-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 166276297
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-3-piperidin-4-ylbutanamide
CID 119813700
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]acetamide;hydrochloride
CID 119813695
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetic acid
CID 7176378
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]-N-[(3-methyloxetan-3-yl)methyl]acetamide
CID 78956632
4,4-difluoro-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]cyclohexane-1-carboxamide
CID 122156451
N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-2-nitroaniline
CID 133389995
N-(2,4-dibromophenyl)-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 24663211
2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetohydrazide
CID 43132204

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide?
The IUPAC name of 5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide (CID 167819495) is 5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide is Cc1c(Br)ccc2[nH]c(C(=O)NCc3csc(-c4ccco4)n3)cc12.
What is the InChIKey of 5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide?
The InChIKey is NSSICXDHDVLQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O2S/c1-10-12-7-15(22-14(12)5-4-13(10)19)17(23)20-8-11-9-25-18(21-11)16-3-2-6-24-16/h2-7,9,22H,8H2,1H3,(H,20,23).
What are the key properties of 5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide?
5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide has a molecular weight of 416.30 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[2-(furan-2-yl)-1,3-thiazol-4-yl]methyl]-4-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 167819495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).