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

C13H12N4OS — CID 685263

IUPACN-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C13H12N4OS/c1-8(18)15-13-17-16-12(19-13)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,14H,6H2,1H3,(H,15,17,18)
InChIKeyLEPPRRFECIWLPX-UHFFFAOYSA-N
MW272.33 g/mol
LogP2.57
Rot. Bonds3

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

N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 685263) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID685263
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC NameN-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCC(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1
InChIInChI=1S/C13H12N4OS/c1-8(18)15-13-17-16-12(19-13)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,14H,6H2,1H3,(H,15,17,18)
InChIKeyLEPPRRFECIWLPX-UHFFFAOYSA-N
XLogP2.57
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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
3-[(2E)-2-(1H-indol-3-ylmethylidene)hydrazinyl]-6-methyl-1,2,4-triazin-5-ol
CID 135412087
2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-N'-[(E)-1H-indol-3-ylmethylidene]acetohydrazide
CID 135460510
5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine
CID 68328262
5-[3-(2,6-difluorophenyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 68328695
5-[3-(6-amino-2-pyridinyl)-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 68356783
5-[3-[6-(propan-2-ylamino)-2-pyridinyl]-1H-indol-5-yl]-1,3,4-thiadiazol-2-amine
CID 68356838
N-methyl-5-(3-quinolin-3-yl-1H-indol-5-yl)-1,3,4-thiadiazol-2-amine
CID 68356863
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
(2E)-2-[(2E)-(1H-indol-3-ylmethylidene)hydrazinylidene]-1,3-thiazolidin-4-one
CID 135628907
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
CID 778154

Frequently Asked Questions

What is the IUPAC name of N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 685263) is N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide is CC(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1.
What is the InChIKey of N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is LEPPRRFECIWLPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-8(18)15-13-17-16-12(19-13)6-9-7-14-11-5-3-2-4-10(9)11/h2-5,7,14H,6H2,1H3,(H,15,17,18).
What are the key properties of N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide?
N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 272.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1H-indol-3-ylmethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 685263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).