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

C9H7Cl2N3S — CID 2804758

IUPACN-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C9H7Cl2N3S/c1-5-13-14-9(15-5)12-8-3-6(10)2-7(11)4-8/h2-4H,1H3,(H,12,14)
InChIKeyIYXUPQXRFGLKLV-UHFFFAOYSA-N
MW260.15 g/mol
LogP3.90
Rot. Bonds2

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

N-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine (PubChem CID 2804758) has the molecular formula C9H7Cl2N3S and a molecular weight of 260.15 g/mol. Its IUPAC name is N-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
PubChem CID2804758
Molecular FormulaC9H7Cl2N3S
Molecular Weight260.15 g/mol
Exact Mass258.97
IUPAC NameN-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
SMILESCc1nnc(Nc2cc(Cl)cc(Cl)c2)s1
InChIInChI=1S/C9H7Cl2N3S/c1-5-13-14-9(15-5)12-8-3-6(10)2-7(11)4-8/h2-4H,1H3,(H,12,14)
InChIKeyIYXUPQXRFGLKLV-UHFFFAOYSA-N
XLogP3.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.15
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 2725663
5-Methyl-N-phenyl-1,3,4-thiadiazol-2-amine
CID 762828
N2-(4-chlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 2725662
1-(4-Chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 871201
N-(3-chloro-4-fluorophenyl)-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 2729976
N2-(2-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 2730024
1-(4-Chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 729602
1-(3,4-Dichloro-phenyl)-3-(5-methyl-[1,3,4]thiadiazol-2-yl)-urea
CID 879248
N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 2730020
1-(3-Chlorophenyl)-3-(5-methyl-1,3,4-thiadiazol-2-yl)urea
CID 648710
1,3,4-Thiadiazol-2-amine, N-(3-chloro-2-methylphenyl)-5-methyl-
CID 596907
1-(5-Butyl-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)urea
CID 4267802

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine (CID 2804758) is N-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine is Cc1nnc(Nc2cc(Cl)cc(Cl)c2)s1.
What is the InChIKey of N-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine?
The InChIKey is IYXUPQXRFGLKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3S/c1-5-13-14-9(15-5)12-8-3-6(10)2-7(11)4-8/h2-4H,1H3,(H,12,14).
What are the key properties of N-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine?
N-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine has a molecular weight of 260.15 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dichlorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 2804758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).