4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide

C17H20N4O3S — CID 71829373

IUPAC4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c2[nH]c(C(=O)Nc3nnc(CC(C)C)s3)cc12
InChIInChI=1S/C17H20N4O3S/c1-9(2)7-14-20-21-17(25-14)19-16(22)11-8-10-12(23-3)5-6-13(24-4)15(10)18-11/h5-6,8-9,18H,7H2,1-4H3,(H,19,21,22)
InChIKeySSDISXNELRKRLR-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.49
Rot. Bonds6

About 4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide

4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide (PubChem CID 71829373) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide
PubChem CID71829373
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide
SMILESCOc1ccc(OC)c2[nH]c(C(=O)Nc3nnc(CC(C)C)s3)cc12
InChIInChI=1S/C17H20N4O3S/c1-9(2)7-14-20-21-17(25-14)19-16(22)11-8-10-12(23-3)5-6-13(24-4)15(10)18-11/h5-6,8-9,18H,7H2,1-4H3,(H,19,21,22)
InChIKeySSDISXNELRKRLR-UHFFFAOYSA-N
XLogP3.49
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-4-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51228862
4-ethoxy-3-methyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 86937929
2-(2-methoxyphenyl)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 3388491
2,5-dimethyl-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]thiophene-3-carboxamide
CID 24647679
2-bromo-5-methoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 26068299
3-acetamido-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 51148570
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(trifluoromethoxy)benzamide
CID 26068513
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-3-methylsulfonylbenzamide
CID 31289416
2,3-dihydroxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzamide
CID 104931749
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,3-dimethoxybenzamide
CID 4145587
N-[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide
CID 1086871

Frequently Asked Questions

What is the IUPAC name of 4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide?
The IUPAC name of 4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide (CID 71829373) is 4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide is COc1ccc(OC)c2[nH]c(C(=O)Nc3nnc(CC(C)C)s3)cc12.
What is the InChIKey of 4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide?
The InChIKey is SSDISXNELRKRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-9(2)7-14-20-21-17(25-14)19-16(22)11-8-10-12(23-3)5-6-13(24-4)15(10)18-11/h5-6,8-9,18H,7H2,1-4H3,(H,19,21,22).
What are the key properties of 4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide?
4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethoxy-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 71829373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).