N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

C20H19N5O2S — CID 509770

IUPACN-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(NCCc2c[nH]c3ccccc23)s1
InChIInChI=1S/C20H19N5O2S/c1-27-17-9-5-3-7-15(17)18(26)23-20-25-24-19(28-20)21-11-10-13-12-22-16-8-4-2-6-14(13)16/h2-9,12,22H,10-11H2,1H3,(H,21,24)(H,23,25,26)
InChIKeyBHKRYPJZFUHRBE-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.93
Rot. Bonds7

About N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide

N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (PubChem CID 509770) has the molecular formula C20H19N5O2S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
PubChem CID509770
Molecular FormulaC20H19N5O2S
Molecular Weight393.47 g/mol
Exact Mass393.13
IUPAC NameN-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1nnc(NCCc2c[nH]c3ccccc23)s1
InChIInChI=1S/C20H19N5O2S/c1-27-17-9-5-3-7-15(17)18(26)23-20-25-24-19(28-20)21-11-10-13-12-22-16-8-4-2-6-14(13)16/h2-9,12,22H,10-11H2,1H3,(H,21,24)(H,23,25,26)
InChIKeyBHKRYPJZFUHRBE-UHFFFAOYSA-N
XLogP3.93
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The IUPAC name of N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide (CID 509770) is N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The canonical SMILES for N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1nnc(NCCc2c[nH]c3ccccc23)s1.
What is the InChIKey of N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
The InChIKey is BHKRYPJZFUHRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2S/c1-27-17-9-5-3-7-15(17)18(26)23-20-25-24-19(28-20)21-11-10-13-12-22-16-8-4-2-6-14(13)16/h2-9,12,22H,10-11H2,1H3,(H,21,24)(H,23,25,26).
What are the key properties of N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide?
N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide has a molecular weight of 393.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(1H-indol-3-yl)ethylamino]-1,3,4-thiadiazol-2-yl]-2-methoxybenzamide is sourced from PubChem (CID 509770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).