N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine

C11H11Cl2N3OS — CID 133352147

IUPACN-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H11Cl2N3OS/c1-17-6-10-15-11(18-16-10)14-5-7-2-3-8(12)4-9(7)13/h2-4H,5-6H2,1H3,(H,14,15,16)
InChIKeyCSVAFFBPWDOJBW-UHFFFAOYSA-N
MW304.20 g/mol
LogP3.60
Rot. Bonds5

About N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine

N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine (PubChem CID 133352147) has the molecular formula C11H11Cl2N3OS and a molecular weight of 304.20 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
PubChem CID133352147
Molecular FormulaC11H11Cl2N3OS
Molecular Weight304.20 g/mol
Exact Mass303.00
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine
SMILESCOCc1nsc(NCc2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C11H11Cl2N3OS/c1-17-6-10-15-11(18-16-10)14-5-7-2-3-8(12)4-9(7)13/h2-4H,5-6H2,1H3,(H,14,15,16)
InChIKeyCSVAFFBPWDOJBW-UHFFFAOYSA-N
XLogP3.60
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.20
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine (CID 133352147) is N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine is COCc1nsc(NCc2ccc(Cl)cc2Cl)n1.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is CSVAFFBPWDOJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3OS/c1-17-6-10-15-11(18-16-10)14-5-7-2-3-8(12)4-9(7)13/h2-4H,5-6H2,1H3,(H,14,15,16).
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine?
N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 304.20 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-3-(methoxymethyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133352147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).