5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

C18H15ClN4OS — CID 58285855

IUPAC5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(CNc2nn3c(-c4cccc(Cl)c4)cnc3s2)cc1
InChIInChI=1S/C18H15ClN4OS/c1-24-15-7-5-12(6-8-15)10-20-17-22-23-16(11-21-18(23)25-17)13-3-2-4-14(19)9-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyWRHFEWYUTIWIQH-UHFFFAOYSA-N
MW370.87 g/mol
LogP4.73
Rot. Bonds5

About 5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine

5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (PubChem CID 58285855) has the molecular formula C18H15ClN4OS and a molecular weight of 370.87 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
PubChem CID58285855
Molecular FormulaC18H15ClN4OS
Molecular Weight370.87 g/mol
Exact Mass370.07
IUPAC Name5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
SMILESCOc1ccc(CNc2nn3c(-c4cccc(Cl)c4)cnc3s2)cc1
InChIInChI=1S/C18H15ClN4OS/c1-24-15-7-5-12(6-8-15)10-20-17-22-23-16(11-21-18(23)25-17)13-3-2-4-14(19)9-13/h2-9,11H,10H2,1H3,(H,20,22)
InChIKeyWRHFEWYUTIWIQH-UHFFFAOYSA-N
XLogP4.73
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.87
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The IUPAC name of 5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine (CID 58285855) is 5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine.
What is the SMILES notation for 5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The canonical SMILES for 5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is COc1ccc(CNc2nn3c(-c4cccc(Cl)c4)cnc3s2)cc1.
What is the InChIKey of 5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
The InChIKey is WRHFEWYUTIWIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4OS/c1-24-15-7-5-12(6-8-15)10-20-17-22-23-16(11-21-18(23)25-17)13-3-2-4-14(19)9-13/h2-9,11H,10H2,1H3,(H,20,22).
What are the key properties of 5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine?
5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine has a molecular weight of 370.87 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine is sourced from PubChem (CID 58285855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).