N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

C14H12N4OS4 — CID 55920830

IUPACN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1csc(Sc2ccc(NC(=O)CSc3nncs3)cc2)n1
InChIInChI=1S/C14H12N4OS4/c1-9-6-20-13(16-9)23-11-4-2-10(3-5-11)17-12(19)7-21-14-18-15-8-22-14/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyBJXMWDFHJWPFLD-UHFFFAOYSA-N
MW380.55 g/mol
LogP4.19
Rot. Bonds6

About N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide

N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (PubChem CID 55920830) has the molecular formula C14H12N4OS4 and a molecular weight of 380.55 g/mol. Its IUPAC name is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
PubChem CID55920830
Molecular FormulaC14H12N4OS4
Molecular Weight380.55 g/mol
Exact Mass379.99
IUPAC NameN-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
SMILESCc1csc(Sc2ccc(NC(=O)CSc3nncs3)cc2)n1
InChIInChI=1S/C14H12N4OS4/c1-9-6-20-13(16-9)23-11-4-2-10(3-5-11)17-12(19)7-21-14-18-15-8-22-14/h2-6,8H,7H2,1H3,(H,17,19)
InChIKeyBJXMWDFHJWPFLD-UHFFFAOYSA-N
XLogP4.19
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.55
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide with MolForge

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Related Compounds

2-(4-methoxyphenyl)sulfanyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]acetamide
CID 55920308
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N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(4-nitrophenyl)sulfanylacetamide
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2-(1,3,4-thiadiazol-2-ylsulfanyl)-N-[4-(trifluoromethyl)phenyl]acetamide
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CID 2532387
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CID 2532520
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N-(3-fluoro-4-methylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
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N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 71940519
N-(3-methyl-4-pyrrolidin-1-ylphenyl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide
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2-methyl-N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The IUPAC name of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide (CID 55920830) is N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide.
What is the SMILES notation for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The canonical SMILES for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is Cc1csc(Sc2ccc(NC(=O)CSc3nncs3)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
The InChIKey is BJXMWDFHJWPFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS4/c1-9-6-20-13(16-9)23-11-4-2-10(3-5-11)17-12(19)7-21-14-18-15-8-22-14/h2-6,8H,7H2,1H3,(H,17,19).
What are the key properties of N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide?
N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide has a molecular weight of 380.55 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]-2-(1,3,4-thiadiazol-2-ylsulfanyl)acetamide is sourced from PubChem (CID 55920830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).