2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

C14H16Cl2N4O2S — CID 91842512

IUPAC2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H16Cl2N4O2S/c1-20(6-9-3-4-10(15)5-11(9)16)7-12(21)17-14-19-18-13(23-14)8-22-2/h3-5H,6-8H2,1-2H3,(H,17,19,21)
InChIKeyBAFJPXWJNUOKMS-UHFFFAOYSA-N
MW375.28 g/mol
LogP3.06
Rot. Bonds7

About 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide

2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (PubChem CID 91842512) has the molecular formula C14H16Cl2N4O2S and a molecular weight of 375.28 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
PubChem CID91842512
Molecular FormulaC14H16Cl2N4O2S
Molecular Weight375.28 g/mol
Exact Mass374.04
IUPAC Name2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide
SMILESCOCc1nnc(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)s1
InChIInChI=1S/C14H16Cl2N4O2S/c1-20(6-9-3-4-10(15)5-11(9)16)7-12(21)17-14-19-18-13(23-14)8-22-2/h3-5H,6-8H2,1-2H3,(H,17,19,21)
InChIKeyBAFJPXWJNUOKMS-UHFFFAOYSA-N
XLogP3.06
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.28
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide (CID 91842512) is 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is COCc1nnc(NC(=O)CN(C)Cc2ccc(Cl)cc2Cl)s1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
The InChIKey is BAFJPXWJNUOKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N4O2S/c1-20(6-9-3-4-10(15)5-11(9)16)7-12(21)17-14-19-18-13(23-14)8-22-2/h3-5H,6-8H2,1-2H3,(H,17,19,21).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide?
2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide has a molecular weight of 375.28 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl-methylamino]-N-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]acetamide is sourced from PubChem (CID 91842512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).