N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine

C19H17ClN6OS — CID 91109730

IUPACN-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1nc(-c2nsc(Nc3cc(Cl)ccc3C)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H17ClN6OS/c1-11-4-5-13(20)8-15(11)23-19-24-17(25-28-19)14-6-7-16(18(22-14)27-3)26-9-12(2)21-10-26/h4-10H,1-3H3,(H,23,24,25)
InChIKeyDHBUYCWWDKVPIW-UHFFFAOYSA-N
MW412.91 g/mol
LogP4.81
Rot. Bonds5

About N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine

N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine (PubChem CID 91109730) has the molecular formula C19H17ClN6OS and a molecular weight of 412.91 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
PubChem CID91109730
Molecular FormulaC19H17ClN6OS
Molecular Weight412.91 g/mol
Exact Mass412.09
IUPAC NameN-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
SMILESCOc1nc(-c2nsc(Nc3cc(Cl)ccc3C)n2)ccc1-n1cnc(C)c1
InChIInChI=1S/C19H17ClN6OS/c1-11-4-5-13(20)8-15(11)23-19-24-17(25-28-19)14-6-7-16(18(22-14)27-3)26-9-12(2)21-10-26/h4-10H,1-3H3,(H,23,24,25)
InChIKeyDHBUYCWWDKVPIW-UHFFFAOYSA-N
XLogP4.81
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine (CID 91109730) is N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine is COc1nc(-c2nsc(Nc3cc(Cl)ccc3C)n2)ccc1-n1cnc(C)c1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is DHBUYCWWDKVPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN6OS/c1-11-4-5-13(20)8-15(11)23-19-24-17(25-28-19)14-6-7-16(18(22-14)27-3)26-9-12(2)21-10-26/h4-10H,1-3H3,(H,23,24,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine?
N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 412.91 g/mol, XLogP of 4.81, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 91109730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).