4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine

C11H12ClN3S — CID 63550126

IUPAC4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCc1ccc(N(C)c2nsnc2Cl)c(C)c1
InChIInChI=1S/C11H12ClN3S/c1-7-4-5-9(8(2)6-7)15(3)11-10(12)13-16-14-11/h4-6H,1-3H3
InChIKeyDUCNDXULXRQKJF-UHFFFAOYSA-N
MW253.76 g/mol
LogP3.58
Rot. Bonds2

About 4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine

4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine (PubChem CID 63550126) has the molecular formula C11H12ClN3S and a molecular weight of 253.76 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
PubChem CID63550126
Molecular FormulaC11H12ClN3S
Molecular Weight253.76 g/mol
Exact Mass253.04
IUPAC Name4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine
SMILESCc1ccc(N(C)c2nsnc2Cl)c(C)c1
InChIInChI=1S/C11H12ClN3S/c1-7-4-5-9(8(2)6-7)15(3)11-10(12)13-16-14-11/h4-6H,1-3H3
InChIKeyDUCNDXULXRQKJF-UHFFFAOYSA-N
XLogP3.58
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine (CID 63550126) is 4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine is Cc1ccc(N(C)c2nsnc2Cl)c(C)c1.
What is the InChIKey of 4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
The InChIKey is DUCNDXULXRQKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3S/c1-7-4-5-9(8(2)6-7)15(3)11-10(12)13-16-14-11/h4-6H,1-3H3.
What are the key properties of 4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine?
4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine has a molecular weight of 253.76 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethylphenyl)-N-methyl-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 63550126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).