N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine

C15H16ClN5S — CID 71988775

IUPACN-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine
SMILESCN(Cc1nnsc1Cl)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C15H16ClN5S/c1-20(10-13-15(16)22-19-18-13)11-14-17-7-8-21(14)9-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3
InChIKeyYXJJOLRCIZVTNS-UHFFFAOYSA-N
MW333.85 g/mol
LogP3.07
Rot. Bonds6

About N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine

N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine (PubChem CID 71988775) has the molecular formula C15H16ClN5S and a molecular weight of 333.85 g/mol. Its IUPAC name is N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine
PubChem CID71988775
Molecular FormulaC15H16ClN5S
Molecular Weight333.85 g/mol
Exact Mass333.08
IUPAC NameN-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine
SMILESCN(Cc1nnsc1Cl)Cc1nccn1Cc1ccccc1
InChIInChI=1S/C15H16ClN5S/c1-20(10-13-15(16)22-19-18-13)11-14-17-7-8-21(14)9-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3
InChIKeyYXJJOLRCIZVTNS-UHFFFAOYSA-N
XLogP3.07
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.85
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine?
The IUPAC name of N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine (CID 71988775) is N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine?
The canonical SMILES for N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine is CN(Cc1nnsc1Cl)Cc1nccn1Cc1ccccc1.
What is the InChIKey of N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine?
The InChIKey is YXJJOLRCIZVTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5S/c1-20(10-13-15(16)22-19-18-13)11-14-17-7-8-21(14)9-12-5-3-2-4-6-12/h2-8H,9-11H2,1H3.
What are the key properties of N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine?
N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine has a molecular weight of 333.85 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylimidazol-2-yl)methyl]-1-(5-chlorothiadiazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 71988775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).