3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide

C18H20N4O3S — CID 51718243

IUPAC3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOc1ccc2c(ccn2CCC(=O)Nc2nnc([C@@H]3CCCO3)s2)c1
InChIInChI=1S/C18H20N4O3S/c1-24-13-4-5-14-12(11-13)6-8-22(14)9-7-16(23)19-18-21-20-17(26-18)15-3-2-10-25-15/h4-6,8,11,15H,2-3,7,9-10H2,1H3,(H,19,21,23)/t15-/m0/s1
InChIKeyPTDKZHYVLSYNBQ-HNNXBMFYSA-N
MW372.45 g/mol
LogP3.38
Rot. Bonds6

About 3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide

3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide (PubChem CID 51718243) has the molecular formula C18H20N4O3S and a molecular weight of 372.45 g/mol. Its IUPAC name is 3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide
PubChem CID51718243
Molecular FormulaC18H20N4O3S
Molecular Weight372.45 g/mol
Exact Mass372.13
IUPAC Name3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide
SMILESCOc1ccc2c(ccn2CCC(=O)Nc2nnc([C@@H]3CCCO3)s2)c1
InChIInChI=1S/C18H20N4O3S/c1-24-13-4-5-14-12(11-13)6-8-22(14)9-7-16(23)19-18-21-20-17(26-18)15-3-2-10-25-15/h4-6,8,11,15H,2-3,7,9-10H2,1H3,(H,19,21,23)/t15-/m0/s1
InChIKeyPTDKZHYVLSYNBQ-HNNXBMFYSA-N
XLogP3.38
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-bromoindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide
CID 51720111
3-(4-methoxyphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221058
3-(5-methoxyindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide
CID 71710363
2-(7-methoxy-4-methyl-2-oxochromen-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 42655892
2-(4-ethoxyphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178932
N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]pentanamide
CID 19183928
N-cyclopropyl-3-(5-methoxyindol-1-yl)propanamide
CID 116619419
2-(4-ethylphenoxy)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
CID 19178444
3-methyl-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]butanamide
CID 16876533
3-methyl-N-[5-[(2R)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]butanamide
CID 42335736
3-(4-tert-butylphenyl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]propanamide
CID 19221296
3-(5-bromoindol-1-yl)-N-[5-(oxolan-2-yl)-1H-1,2,4-triazol-3-yl]propanamide
CID 71701461

Frequently Asked Questions

What is the IUPAC name of 3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide?
The IUPAC name of 3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide (CID 51718243) is 3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide.
What is the SMILES notation for 3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide?
The canonical SMILES for 3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide is COc1ccc2c(ccn2CCC(=O)Nc2nnc([C@@H]3CCCO3)s2)c1.
What is the InChIKey of 3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide?
The InChIKey is PTDKZHYVLSYNBQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H20N4O3S/c1-24-13-4-5-14-12(11-13)6-8-22(14)9-7-16(23)19-18-21-20-17(26-18)15-3-2-10-25-15/h4-6,8,11,15H,2-3,7,9-10H2,1H3,(H,19,21,23)/t15-/m0/s1.
What are the key properties of 3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide?
3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide has a molecular weight of 372.45 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxyindol-1-yl)-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]propanamide is sourced from PubChem (CID 51718243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).