2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

C23H21FN4O3S — CID 55468200

IUPAC2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESCOc1ccc(-c2csc(NC(=O)C(Cc3c[nH]c4ccccc34)NC(C)=O)n2)cc1F
InChIInChI=1S/C23H21FN4O3S/c1-13(29)26-19(10-15-11-25-18-6-4-3-5-16(15)18)22(30)28-23-27-20(12-32-23)14-7-8-21(31-2)17(24)9-14/h3-9,11-12,19,25H,10H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKeyDZGHFVBNRSDZPU-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.12
Rot. Bonds7

About 2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide

2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (PubChem CID 55468200) has the molecular formula C23H21FN4O3S and a molecular weight of 452.51 g/mol. Its IUPAC name is 2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.

Molecular Properties

Compound Name2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
PubChem CID55468200
Molecular FormulaC23H21FN4O3S
Molecular Weight452.51 g/mol
Exact Mass452.13
IUPAC Name2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
SMILESCOc1ccc(-c2csc(NC(=O)C(Cc3c[nH]c4ccccc34)NC(C)=O)n2)cc1F
InChIInChI=1S/C23H21FN4O3S/c1-13(29)26-19(10-15-11-25-18-6-4-3-5-16(15)18)22(30)28-23-27-20(12-32-23)14-7-8-21(31-2)17(24)9-14/h3-9,11-12,19,25H,10H2,1-2H3,(H,26,29)(H,27,28,30)
InChIKeyDZGHFVBNRSDZPU-UHFFFAOYSA-N
XLogP4.12
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-acetamido-N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828074
2-acetamido-N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide
CID 78828161
ethyl N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-[(4-phenyl-1,3-thiazol-2-yl)amino]propan-2-yl]carbamate
CID 2008799
(4-chlorophenyl)-[(2S)-3-(1H-indol-3-yl)-1-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amino]-1-oxopropan-2-yl]sulfamic acid
CID 175597176
methyl 5-[[2-acetamido-3-(1H-indol-3-yl)propanoyl]amino]-2,4-difluorobenzoate
CID 78845055
(2S)-2-amino-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-methylbutanamide
CID 119271820
N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 46668396
2-acetamido-3-(1H-indol-3-yl)-N-phenylpropanamide
CID 46449928
2-acetamido-3-(1H-indol-3-yl)-N-[1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethyl]propanamide
CID 86945540
2-(benzenesulfonamido)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-4-methylsulfanylbutanamide
CID 55382300
2-acetamido-N-(3,5-dimethylphenyl)-3-(1H-indol-3-yl)propanamide
CID 51163813
(2R)-2-acetamido-N-[(2-fluorophenyl)methyl]-3-(1H-indol-3-yl)propanamide
CID 2206716

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The IUPAC name of 2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide (CID 55468200) is 2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide.
What is the SMILES notation for 2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The canonical SMILES for 2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is COc1ccc(-c2csc(NC(=O)C(Cc3c[nH]c4ccccc34)NC(C)=O)n2)cc1F.
What is the InChIKey of 2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
The InChIKey is DZGHFVBNRSDZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3S/c1-13(29)26-19(10-15-11-25-18-6-4-3-5-16(15)18)22(30)28-23-27-20(12-32-23)14-7-8-21(31-2)17(24)9-14/h3-9,11-12,19,25H,10H2,1-2H3,(H,26,29)(H,27,28,30).
What are the key properties of 2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide?
2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide has a molecular weight of 452.51 g/mol, XLogP of 4.12, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]-3-(1H-indol-3-yl)propanamide is sourced from PubChem (CID 55468200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).