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

C10H10ClN3S — CID 596907

IUPACN-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2cccc(Cl)c2C)s1
InChIInChI=1S/C10H10ClN3S/c1-6-8(11)4-3-5-9(6)12-10-14-13-7(2)15-10/h3-5H,1-2H3,(H,12,14)
InChIKeyIBNPUYABUHBCNL-UHFFFAOYSA-N
MW239.73 g/mol
LogP3.55
Rot. Bonds2

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

N-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 596907) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID596907
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC NameN-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2cccc(Cl)c2C)s1
InChIInChI=1S/C10H10ClN3S/c1-6-8(11)4-3-5-9(6)12-10-14-13-7(2)15-10/h3-5H,1-2H3,(H,12,14)
InChIKeyIBNPUYABUHBCNL-UHFFFAOYSA-N
XLogP3.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 596907) is N-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(Nc2cccc(Cl)c2C)s1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IBNPUYABUHBCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-6-8(11)4-3-5-9(6)12-10-14-13-7(2)15-10/h3-5H,1-2H3,(H,12,14).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 239.73 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 596907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).