[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate

C19H13FN2O2S — CID 8607134

IUPAC[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H13FN2O2S/c20-13-7-5-12(6-8-13)18-22-14(11-25-18)10-24-19(23)16-9-21-17-4-2-1-3-15(16)17/h1-9,11,21H,10H2
InChIKeyVURGWKSICWSTKZ-UHFFFAOYSA-N
MW352.39 g/mol
LogP4.79
Rot. Bonds4

About [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate

[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate (PubChem CID 8607134) has the molecular formula C19H13FN2O2S and a molecular weight of 352.39 g/mol. Its IUPAC name is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate
PubChem CID8607134
Molecular FormulaC19H13FN2O2S
Molecular Weight352.39 g/mol
Exact Mass352.07
IUPAC Name[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate
SMILESO=C(OCc1csc(-c2ccc(F)cc2)n1)c1c[nH]c2ccccc12
InChIInChI=1S/C19H13FN2O2S/c20-13-7-5-12(6-8-13)18-22-14(11-25-18)10-24-19(23)16-9-21-17-4-2-1-3-15(16)17/h1-9,11,21H,10H2
InChIKeyVURGWKSICWSTKZ-UHFFFAOYSA-N
XLogP4.79
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-Indol-3-ylcarbonyl)-4-thiazolecarboxylic acid methyl ester
CID 4668801
[2-(4-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 4792909
1-Ethyl-5-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]indole-3-carboxylic acid
CID 156805892
Ethyl 2-[2-(1H-indol-3-ylsulfanyl)acetamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 4095436
ethyl 2-(2-((1H-indol-3-yl)thio)acetamido)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 4178118
ethyl 2-[2-(1H-indol-3-ylsulfanyl)propanamido]-4H,5H,6H-cyclopenta[b]thiophene-3-carboxylate
CID 4693061
Ethyl 2-[[2-[1-[2-[(2-fluorobenzoyl)amino]ethyl]indol-3-yl]sulfanylacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
CID 5019563
[2-(3-fluoroanilino)-2-oxoethyl] 1H-indole-3-carboxylate
CID 16314810
ethyl 5-(dimethylcarbamoyl)-2-[[2-[2-(1H-indol-3-yl)acetyl]oxyacetyl]amino]-4-methylthiophene-3-carboxylate
CID 24979752
methyl 2-(2-(1H-indol-7-yl)acetamido)-4-methylthiophene-3-carboxylate
CID 53319945
5-[4-[(dimethylamino)methyl]-1,3-thiazol-2-yl]-1H-indole-3-carboxylic acid
CID 156011972
Indolokine A5
CID 23651846

Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate?
The IUPAC name of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate (CID 8607134) is [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate.
What is the SMILES notation for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate?
The canonical SMILES for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate is O=C(OCc1csc(-c2ccc(F)cc2)n1)c1c[nH]c2ccccc12.
What is the InChIKey of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate?
The InChIKey is VURGWKSICWSTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O2S/c20-13-7-5-12(6-8-13)18-22-14(11-25-18)10-24-19(23)16-9-21-17-4-2-1-3-15(16)17/h1-9,11,21H,10H2.
What are the key properties of [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate?
[2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate has a molecular weight of 352.39 g/mol, XLogP of 4.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)-1,3-thiazol-4-yl]methyl 1H-indole-3-carboxylate is sourced from PubChem (CID 8607134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).