2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide

C18H20FN3OS — CID 70709474

IUPAC2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
SMILESCc1ncsc1CCCNC(=O)Cc1c(C)[nH]c2c(F)cccc12
InChIInChI=1S/C18H20FN3OS/c1-11-14(13-5-3-6-15(19)18(13)22-11)9-17(23)20-8-4-7-16-12(2)21-10-24-16/h3,5-6,10,22H,4,7-9H2,1-2H3,(H,20,23)
InChIKeyVNJZVDJJJBUFBQ-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.67
Rot. Bonds6

About 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide

2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide (PubChem CID 70709474) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide.

Molecular Properties

Compound Name2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
PubChem CID70709474
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC Name2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
SMILESCc1ncsc1CCCNC(=O)Cc1c(C)[nH]c2c(F)cccc12
InChIInChI=1S/C18H20FN3OS/c1-11-14(13-5-3-6-15(19)18(13)22-11)9-17(23)20-8-4-7-16-12(2)21-10-24-16/h3,5-6,10,22H,4,7-9H2,1-2H3,(H,20,23)
InChIKeyVNJZVDJJJBUFBQ-UHFFFAOYSA-N
XLogP3.67
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-fluorophenyl)-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]acetamide
CID 110718404
5-[[[2-(7-fluoro-2-methyl-1H-indol-3-yl)acetyl]amino]methyl]thiophene-2-carboxylic acid
CID 72932073
2-(benzotriazol-2-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide
CID 90650982
N-(cyclohexen-1-ylmethyl)-2-(7-fluoro-2-methyl-1H-indol-3-yl)acetamide
CID 70737035
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]acetamide
CID 70716419
3-fluoro-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]benzamide
CID 110718386
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[[5-(furan-2-yl)-1,2,4-oxadiazol-3-yl]methyl]acetamide
CID 50981953
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-(1-thiophen-3-ylpropan-2-yl)acetamide
CID 70765117
N-[2-(1H-indol-3-yl)ethyl]-3-(4-methyl-1,3-thiazol-5-yl)propanamide
CID 74246486
N-[2-(4-chlorophenyl)ethyl]-2-(4-methyl-1,3-thiazol-5-yl)acetamide
CID 110679631
2-(4-methyl-1,3-thiazol-5-yl)-N-(2-thiophen-2-ylethyl)acetamide
CID 110679612
(2R)-2-(4-fluorophenyl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]azetidine-1-carboxamide
CID 126444900

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
The IUPAC name of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide (CID 70709474) is 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide.
What is the SMILES notation for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
The canonical SMILES for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide is Cc1ncsc1CCCNC(=O)Cc1c(C)[nH]c2c(F)cccc12.
What is the InChIKey of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
The InChIKey is VNJZVDJJJBUFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-11-14(13-5-3-6-15(19)18(13)22-11)9-17(23)20-8-4-7-16-12(2)21-10-24-16/h3,5-6,10,22H,4,7-9H2,1-2H3,(H,20,23).
What are the key properties of 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide?
2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide has a molecular weight of 345.44 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-2-methyl-1H-indol-3-yl)-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]acetamide is sourced from PubChem (CID 70709474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).