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

C15H16N4OS3 — CID 4144657

IUPACN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide
SMILESCCSc1nnc(NC(=O)CSc2c(C)[nH]c3ccccc23)s1
InChIInChI=1S/C15H16N4OS3/c1-3-21-15-19-18-14(23-15)17-12(20)8-22-13-9(2)16-11-7-5-4-6-10(11)13/h4-7,16H,3,8H2,1-2H3,(H,17,18,20)
InChIKeyIOCHKASJTFBJDY-UHFFFAOYSA-N
MW364.52 g/mol
LogP4.17
Rot. Bonds6

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

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide (PubChem CID 4144657) has the molecular formula C15H16N4OS3 and a molecular weight of 364.52 g/mol. Its IUPAC name is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide
PubChem CID4144657
Molecular FormulaC15H16N4OS3
Molecular Weight364.52 g/mol
Exact Mass364.05
IUPAC NameN-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide
SMILESCCSc1nnc(NC(=O)CSc2c(C)[nH]c3ccccc23)s1
InChIInChI=1S/C15H16N4OS3/c1-3-21-15-19-18-14(23-15)17-12(20)8-22-13-9(2)16-11-7-5-4-6-10(11)13/h4-7,16H,3,8H2,1-2H3,(H,17,18,20)
InChIKeyIOCHKASJTFBJDY-UHFFFAOYSA-N
XLogP4.17
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.52
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-acyl-2-amino-5-mercapto-1,3,4-_thiadiazole', 'substructure': 'N/A'}

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Related Compounds

N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-phenyl-1H-indol-3-yl)sulfanyl]acetamide
CID 4153781
2-[[3-(4-chlorophenyl)-4-oxo-5H-pyrimido[5,4-b]indol-2-yl]sulfanyl]-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 4107221
2-(2,4-dimethylphenyl)sulfanyl-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 2701543
N-[5-[2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]propanamide
CID 4313682
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-fluorophenyl)methylsulfanyl]acetamide
CID 100754154
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CID 3636543
N-[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-2-(4-methylbenzoyl)benzamide
CID 20994654
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)acetamide
CID 9458211
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CID 39910044
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 7920080
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Frequently Asked Questions

What is the IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide?
The IUPAC name of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide (CID 4144657) is N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide?
The canonical SMILES for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide is CCSc1nnc(NC(=O)CSc2c(C)[nH]c3ccccc23)s1.
What is the InChIKey of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide?
The InChIKey is IOCHKASJTFBJDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS3/c1-3-21-15-19-18-14(23-15)17-12(20)8-22-13-9(2)16-11-7-5-4-6-10(11)13/h4-7,16H,3,8H2,1-2H3,(H,17,18,20).
What are the key properties of N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide?
N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide has a molecular weight of 364.52 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)-2-[(2-methyl-1H-indol-3-yl)sulfanyl]acetamide is sourced from PubChem (CID 4144657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).