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

C20H18ClN5OS — CID 133467710

IUPAC5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1C(Nc1nnc(-c2ccccc2Cl)s1)c1nccn1C
InChIInChI=1S/C20H18ClN5OS/c1-26-12-11-22-18(26)17(14-8-4-6-10-16(14)27-2)23-20-25-24-19(28-20)13-7-3-5-9-15(13)21/h3-12,17H,1-2H3,(H,23,25)
InChIKeyJWCRBTLRKYZWOQ-UHFFFAOYSA-N
MW411.92 g/mol
LogP4.80
Rot. Bonds6

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

5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133467710) has the molecular formula C20H18ClN5OS and a molecular weight of 411.92 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
PubChem CID133467710
Molecular FormulaC20H18ClN5OS
Molecular Weight411.92 g/mol
Exact Mass411.09
IUPAC Name5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1C(Nc1nnc(-c2ccccc2Cl)s1)c1nccn1C
InChIInChI=1S/C20H18ClN5OS/c1-26-12-11-22-18(26)17(14-8-4-6-10-16(14)27-2)23-20-25-24-19(28-20)13-7-3-5-9-15(13)21/h3-12,17H,1-2H3,(H,23,25)
InChIKeyJWCRBTLRKYZWOQ-UHFFFAOYSA-N
XLogP4.80
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.92
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine (CID 133467710) is 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is COc1ccccc1C(Nc1nnc(-c2ccccc2Cl)s1)c1nccn1C.
What is the InChIKey of 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is JWCRBTLRKYZWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5OS/c1-26-12-11-22-18(26)17(14-8-4-6-10-16(14)27-2)23-20-25-24-19(28-20)13-7-3-5-9-15(13)21/h3-12,17H,1-2H3,(H,23,25).
What are the key properties of 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine?
5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 411.92 g/mol, XLogP of 4.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133467710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).