5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide

C17H20N4O3S — CID 71707695

IUPAC5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide
SMILESCOCc1nnc(NC(=O)c2cn(C(C)C)c3ccc(OC)cc23)s1
InChIInChI=1S/C17H20N4O3S/c1-10(2)21-8-13(12-7-11(24-4)5-6-14(12)21)16(22)18-17-20-19-15(25-17)9-23-3/h5-8,10H,9H2,1-4H3,(H,18,20,22)
InChIKeyYICHAPNVAABZNA-UHFFFAOYSA-N
MW360.44 g/mol
LogP3.48
Rot. Bonds6

About 5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide

5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide (PubChem CID 71707695) has the molecular formula C17H20N4O3S and a molecular weight of 360.44 g/mol. Its IUPAC name is 5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide.

Molecular Properties

Compound Name5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide
PubChem CID71707695
Molecular FormulaC17H20N4O3S
Molecular Weight360.44 g/mol
Exact Mass360.13
IUPAC Name5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide
SMILESCOCc1nnc(NC(=O)c2cn(C(C)C)c3ccc(OC)cc23)s1
InChIInChI=1S/C17H20N4O3S/c1-10(2)21-8-13(12-7-11(24-4)5-6-14(12)21)16(22)18-17-20-19-15(25-17)9-23-3/h5-8,10H,9H2,1-4H3,(H,18,20,22)
InChIKeyYICHAPNVAABZNA-UHFFFAOYSA-N
XLogP3.48
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide?
The IUPAC name of 5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide (CID 71707695) is 5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide.
What is the SMILES notation for 5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide?
The canonical SMILES for 5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide is COCc1nnc(NC(=O)c2cn(C(C)C)c3ccc(OC)cc23)s1.
What is the InChIKey of 5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide?
The InChIKey is YICHAPNVAABZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3S/c1-10(2)21-8-13(12-7-11(24-4)5-6-14(12)21)16(22)18-17-20-19-15(25-17)9-23-3/h5-8,10H,9H2,1-4H3,(H,18,20,22).
What are the key properties of 5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide?
5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide has a molecular weight of 360.44 g/mol, XLogP of 3.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]-1-propan-2-ylindole-3-carboxamide is sourced from PubChem (CID 71707695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).