N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine

C15H15ClN4OS — CID 86855991

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CN(C)Cc2nnc(-c3ccccc3Cl)o2)cs1
InChIInChI=1S/C15H15ClN4OS/c1-10-17-11(9-22-10)7-20(2)8-14-18-19-15(21-14)12-5-3-4-6-13(12)16/h3-6,9H,7-8H2,1-2H3
InChIKeyNKDJPCOZMQZYLC-UHFFFAOYSA-N
MW334.83 g/mol
LogP3.79
Rot. Bonds5

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (PubChem CID 86855991) has the molecular formula C15H15ClN4OS and a molecular weight of 334.83 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
PubChem CID86855991
Molecular FormulaC15H15ClN4OS
Molecular Weight334.83 g/mol
Exact Mass334.07
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
SMILESCc1nc(CN(C)Cc2nnc(-c3ccccc3Cl)o2)cs1
InChIInChI=1S/C15H15ClN4OS/c1-10-17-11(9-22-10)7-20(2)8-14-18-19-15(21-14)12-5-3-4-6-13(12)16/h3-6,9H,7-8H2,1-2H3
InChIKeyNKDJPCOZMQZYLC-UHFFFAOYSA-N
XLogP3.79
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.83
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]acetate
CID 60670430
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N,3-dimethylaniline
CID 45106047
N-[4-[[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propylamino]methyl]-1,3-thiazol-2-yl]acetamide
CID 78825660
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-1-cyclopropylethanol
CID 111858727
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-N-(2,4,6-trimethylphenyl)acetamide
CID 55410713
2-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethanethiol
CID 82159367
2-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]-2-methylpropanoic acid
CID 62821774
4-[[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]amino]methyl]-N-phenyl-1,3-thiazol-2-amine
CID 71883940
1-(2-chlorophenyl)-N'-methyl-N'-[(2-methyl-1,3-thiazol-4-yl)methyl]propane-1,3-diamine
CID 62644685
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 78788619
2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 55432986
2,5-bis(2-chlorophenyl)-1,3,4-oxadiazole
CID 756154

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine (CID 86855991) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is Cc1nc(CN(C)Cc2nnc(-c3ccccc3Cl)o2)cs1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
The InChIKey is NKDJPCOZMQZYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4OS/c1-10-17-11(9-22-10)7-20(2)8-14-18-19-15(21-14)12-5-3-4-6-13(12)16/h3-6,9H,7-8H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine has a molecular weight of 334.83 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine is sourced from PubChem (CID 86855991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).