1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide

C16H16N4O2S — CID 51973075

IUPAC1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide
SMILESCn1cc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c2ccccc21
InChIInChI=1S/C16H16N4O2S/c1-20-9-11(10-5-2-3-6-12(10)20)14(21)17-16-19-18-15(23-16)13-7-4-8-22-13/h2-3,5-6,9,13H,4,7-8H2,1H3,(H,17,19,21)/t13-/m0/s1
InChIKeyUMKJYXVCJWDRPH-ZDUSSCGKSA-N
MW328.40 g/mol
LogP3.13
Rot. Bonds3

About 1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide

1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide (PubChem CID 51973075) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is 1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide
PubChem CID51973075
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC Name1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide
SMILESCn1cc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c2ccccc21
InChIInChI=1S/C16H16N4O2S/c1-20-9-11(10-5-2-3-6-12(10)20)14(21)17-16-19-18-15(23-16)13-7-4-8-22-13/h2-3,5-6,9,13H,4,7-8H2,1H3,(H,17,19,21)/t13-/m0/s1
InChIKeyUMKJYXVCJWDRPH-ZDUSSCGKSA-N
XLogP3.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide?
The IUPAC name of 1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide (CID 51973075) is 1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide is Cn1cc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)c2ccccc21.
What is the InChIKey of 1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide?
The InChIKey is UMKJYXVCJWDRPH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H16N4O2S/c1-20-9-11(10-5-2-3-6-12(10)20)14(21)17-16-19-18-15(23-16)13-7-4-8-22-13/h2-3,5-6,9,13H,4,7-8H2,1H3,(H,17,19,21)/t13-/m0/s1.
What are the key properties of 1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide?
1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-[(2S)-oxolan-2-yl]-1,3,4-thiadiazol-2-yl]indole-3-carboxamide is sourced from PubChem (CID 51973075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).