N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine

C12H15ClN4S — CID 65275542

IUPACN-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(C)Cc2cc(N)ccc2Cl)n1
InChIInChI=1S/C12H15ClN4S/c1-3-11-15-12(18-16-11)17(2)7-8-6-9(14)4-5-10(8)13/h4-6H,3,7,14H2,1-2H3
InChIKeyWKZAVJZBBDGDMX-UHFFFAOYSA-N
MW282.80 g/mol
LogP2.97
Rot. Bonds4

About N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine

N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine (PubChem CID 65275542) has the molecular formula C12H15ClN4S and a molecular weight of 282.80 g/mol. Its IUPAC name is N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
PubChem CID65275542
Molecular FormulaC12H15ClN4S
Molecular Weight282.80 g/mol
Exact Mass282.07
IUPAC NameN-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine
SMILESCCc1nsc(N(C)Cc2cc(N)ccc2Cl)n1
InChIInChI=1S/C12H15ClN4S/c1-3-11-15-12(18-16-11)17(2)7-8-6-9(14)4-5-10(8)13/h4-6H,3,7,14H2,1-2H3
InChIKeyWKZAVJZBBDGDMX-UHFFFAOYSA-N
XLogP2.97
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine (CID 65275542) is N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine is CCc1nsc(N(C)Cc2cc(N)ccc2Cl)n1.
What is the InChIKey of N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
The InChIKey is WKZAVJZBBDGDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4S/c1-3-11-15-12(18-16-11)17(2)7-8-6-9(14)4-5-10(8)13/h4-6H,3,7,14H2,1-2H3.
What are the key properties of N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine?
N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine has a molecular weight of 282.80 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-chlorophenyl)methyl]-3-ethyl-N-methyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65275542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).