2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide

C15H18N4O2S2 — CID 2505002

IUPAC2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(C)s2)cc1
InChIInChI=1S/C15H18N4O2S2/c1-10-4-6-12(7-5-10)16-13(20)8-19(3)14(21)9-22-15-18-17-11(2)23-15/h4-7H,8-9H2,1-3H3,(H,16,20)
InChIKeyHMQWKLHFPHEMFS-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.34
Rot. Bonds6

About 2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 2505002) has the molecular formula C15H18N4O2S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is 2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID2505002
Molecular FormulaC15H18N4O2S2
Molecular Weight350.47 g/mol
Exact Mass350.09
IUPAC Name2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(C)s2)cc1
InChIInChI=1S/C15H18N4O2S2/c1-10-4-6-12(7-5-10)16-13(20)8-19(3)14(21)9-22-15-18-17-11(2)23-15/h4-7H,8-9H2,1-3H3,(H,16,20)
InChIKeyHMQWKLHFPHEMFS-UHFFFAOYSA-N
XLogP2.34
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide (CID 2505002) is 2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(C)s2)cc1.
What is the InChIKey of 2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is HMQWKLHFPHEMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S2/c1-10-4-6-12(7-5-10)16-13(20)8-19(3)14(21)9-22-15-18-17-11(2)23-15/h4-7H,8-9H2,1-3H3,(H,16,20).
What are the key properties of 2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 350.47 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 2505002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).