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

C19H16N4O2S — CID 1036901

IUPACN-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)cc1
InChIInChI=1S/C19H16N4O2S/c1-25-14-8-6-12(7-9-14)18(24)21-19-23-22-17(26-19)10-13-11-20-16-5-3-2-4-15(13)16/h2-9,11,20H,10H2,1H3,(H,21,23,24)
InChIKeyAXHAJBIEOINPDH-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.87
Rot. Bonds5

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

N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide (PubChem CID 1036901) has the molecular formula C19H16N4O2S and a molecular weight of 364.43 g/mol. Its IUPAC name is N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
PubChem CID1036901
Molecular FormulaC19H16N4O2S
Molecular Weight364.43 g/mol
Exact Mass364.10
IUPAC NameN-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)cc1
InChIInChI=1S/C19H16N4O2S/c1-25-14-8-6-12(7-9-14)18(24)21-19-23-22-17(26-19)10-13-11-20-16-5-3-2-4-15(13)16/h2-9,11,20H,10H2,1H3,(H,21,23,24)
InChIKeyAXHAJBIEOINPDH-UHFFFAOYSA-N
XLogP3.87
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N'-(1H-indol-3-ylmethylene)-4-methoxybenzohydrazide
CID 135412131
2-methoxy-N-{2-[3-({2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl}thio)-1H-indol-1-yl]ethyl}benzamide
CID 3244268
(R)-N-((4-(4-methoxybenzyl)-5-phenethyl-4H-1,2,4-triazol-3-yl)(1H-indol-3-yl)methyl)benzamide
CID 44445619
N-(4-methoxyphenyl)-5-[1-[(4-methoxyphenyl)methyl]indol-3-yl]-1,3,4-thiadiazol-2-amine
CID 70696979
N-ethyl-5-[(5-methoxy-1H-indol-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 122178513
5-(1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 136232629
5-(5-methoxy-1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 136237530
5-(6-methoxy-1H-indol-3-yl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 136237531
5-[3-(3-methoxyphenyl)-1H-indol-5-yl]-N-methyl-1,3,4-thiadiazol-2-amine
CID 68328109
2-(3-methoxyphenyl)-N-[5-[2-[2-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982615
4-methoxy-N-[2-[3-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanylindol-1-yl]ethyl]benzamide
CID 3243243
5-(1H-indol-3-ylmethyl)-N-(4-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 70688689

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide (CID 1036901) is N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2nnc(Cc3c[nH]c4ccccc34)s2)cc1.
What is the InChIKey of N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
The InChIKey is AXHAJBIEOINPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O2S/c1-25-14-8-6-12(7-9-14)18(24)21-19-23-22-17(26-19)10-13-11-20-16-5-3-2-4-15(13)16/h2-9,11,20H,10H2,1H3,(H,21,23,24).
What are the key properties of N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide?
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide has a molecular weight of 364.43 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 1036901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).