N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

C15H19ClN4OS2 — CID 46991940

IUPACN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCC(c2ccccc2Cl)N(C)C)s1
InChIInChI=1S/C15H19ClN4OS2/c1-10-18-19-15(23-10)22-9-14(21)17-8-13(20(2)3)11-6-4-5-7-12(11)16/h4-7,13H,8-9H2,1-3H3,(H,17,21)
InChIKeyNECGWWGETBMDFL-UHFFFAOYSA-N
MW370.93 g/mol
LogP3.01
Rot. Bonds7

About N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide

N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (PubChem CID 46991940) has the molecular formula C15H19ClN4OS2 and a molecular weight of 370.93 g/mol. Its IUPAC name is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
PubChem CID46991940
Molecular FormulaC15H19ClN4OS2
Molecular Weight370.93 g/mol
Exact Mass370.07
IUPAC NameN-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
SMILESCc1nnc(SCC(=O)NCC(c2ccccc2Cl)N(C)C)s1
InChIInChI=1S/C15H19ClN4OS2/c1-10-18-19-15(23-10)22-9-14(21)17-8-13(20(2)3)11-6-4-5-7-12(11)16/h4-7,13H,8-9H2,1-3H3,(H,17,21)
InChIKeyNECGWWGETBMDFL-UHFFFAOYSA-N
XLogP3.01
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.93
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide (CID 46991940) is N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is Cc1nnc(SCC(=O)NCC(c2ccccc2Cl)N(C)C)s1.
What is the InChIKey of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
The InChIKey is NECGWWGETBMDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4OS2/c1-10-18-19-15(23-10)22-9-14(21)17-8-13(20(2)3)11-6-4-5-7-12(11)16/h4-7,13H,8-9H2,1-3H3,(H,17,21).
What are the key properties of N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide?
N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide has a molecular weight of 370.93 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 46991940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).