3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide

C20H18N4OS — CID 20933055

IUPAC3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2nnc(Cc3cn(C)c4ccccc34)s2)c1
InChIInChI=1S/C20H18N4OS/c1-13-6-5-7-14(10-13)19(25)21-20-23-22-18(26-20)11-15-12-24(2)17-9-4-3-8-16(15)17/h3-10,12H,11H2,1-2H3,(H,21,23,25)
InChIKeyQKHXLWNMPQYMJP-UHFFFAOYSA-N
MW362.46 g/mol
LogP4.18
Rot. Bonds4

About 3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide

3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide (PubChem CID 20933055) has the molecular formula C20H18N4OS and a molecular weight of 362.46 g/mol. Its IUPAC name is 3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
PubChem CID20933055
Molecular FormulaC20H18N4OS
Molecular Weight362.46 g/mol
Exact Mass362.12
IUPAC Name3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide
SMILESCc1cccc(C(=O)Nc2nnc(Cc3cn(C)c4ccccc34)s2)c1
InChIInChI=1S/C20H18N4OS/c1-13-6-5-7-14(10-13)19(25)21-20-23-22-18(26-20)11-15-12-24(2)17-9-4-3-8-16(15)17/h3-10,12H,11H2,1-2H3,(H,21,23,25)
InChIKeyQKHXLWNMPQYMJP-UHFFFAOYSA-N
XLogP4.18
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.46
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5Z)-5-[(1-methylindol-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 2009322
N-(5-(1H-Indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl)acetamide
CID 685263
3-[4-[5-[Butyl-[4-(trifluoromethyl)benzoyl]amino]-1,3,4-thiadiazol-2-yl]indol-1-yl]propanoic acid
CID 70695743
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-2-methylpropanamide
CID 943136
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-(1H-indol-3-yl)acetamide
CID 2117341
2,2-dimethyl-3-[1-(3-methylbutyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 24937240
2,2-dimethyl-3-[1-(2-methylpropyl)indazol-5-yl]-3-phenyl-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 59252804
2,2-dimethyl-3-phenyl-3-(1-pyridin-4-ylindazol-5-yl)-N-(1,3,4-thiadiazol-2-yl)propanamide
CID 59252827
2-phenyl-N-[5-[4-[5-[(2-pyridin-2-ylacetyl)amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 74982575
2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 89639633
2-(1H-indol-3-yl)-N-[5-[4-[5-[[2-(1H-indol-3-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]butyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90165468
2-(1-methylindol-3-yl)-N-[5-[2-[2-[5-[[2-(1-methylindol-3-yl)acetyl]amino]-1,3,4-selenadiazol-2-yl]ethylsulfanyl]ethyl]-1,3,4-selenadiazol-2-yl]acetamide
CID 155537033

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
The IUPAC name of 3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide (CID 20933055) is 3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide.
What is the SMILES notation for 3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
The canonical SMILES for 3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide is Cc1cccc(C(=O)Nc2nnc(Cc3cn(C)c4ccccc34)s2)c1.
What is the InChIKey of 3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
The InChIKey is QKHXLWNMPQYMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS/c1-13-6-5-7-14(10-13)19(25)21-20-23-22-18(26-20)11-15-12-24(2)17-9-4-3-8-16(15)17/h3-10,12H,11H2,1-2H3,(H,21,23,25).
What are the key properties of 3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide?
3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide has a molecular weight of 362.46 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[5-[(1-methylindol-3-yl)methyl]-1,3,4-thiadiazol-2-yl]benzamide is sourced from PubChem (CID 20933055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).