N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine

C11H12ClN3OS — CID 163308231

IUPACN-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCOC(C)c1nnc(Nc2ccccc2Cl)s1
InChIInChI=1S/C11H12ClN3OS/c1-7(16-2)10-14-15-11(17-10)13-9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H,13,15)
InChIKeyFQFSJIQLSRCUMF-UHFFFAOYSA-N
MW269.76 g/mol
LogP3.64
Rot. Bonds4

About N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine

N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine (PubChem CID 163308231) has the molecular formula C11H12ClN3OS and a molecular weight of 269.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine
PubChem CID163308231
Molecular FormulaC11H12ClN3OS
Molecular Weight269.76 g/mol
Exact Mass269.04
IUPAC NameN-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine
SMILESCOC(C)c1nnc(Nc2ccccc2Cl)s1
InChIInChI=1S/C11H12ClN3OS/c1-7(16-2)10-14-15-11(17-10)13-9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H,13,15)
InChIKeyFQFSJIQLSRCUMF-UHFFFAOYSA-N
XLogP3.64
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.76
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Chlorophenyl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 15989481
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
1-(5-Butyl-1,3,4-thiadiazol-2-yl)-3-(4-chlorophenyl)urea
CID 4267802
1-(4-Chlorophenyl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 871720
1-(2,4-Dichlorophenyl)-3-[5-(2-ethoxyethyl)-1,3,4-thiadiazol-2-yl]urea
CID 1611394
Cambridge id 5791370
CID 2270095
N-(2-chlorophenyl)-N'-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 22430369
N-(3-chloro-4-fluorophenyl)-5-ethyl-1,3,4-thiadiazol-2-amine
CID 39854543
1-(3-Chlorophenyl)-3-[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]urea
CID 734404
1-(3-Chlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)urea
CID 921324
N-(4-chlorophenyl)-N'-[5-(2-methoxyethyl)-1,3,4-thiadiazol-2-yl]urea
CID 2248224

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine (CID 163308231) is N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine is COC(C)c1nnc(Nc2ccccc2Cl)s1.
What is the InChIKey of N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is FQFSJIQLSRCUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3OS/c1-7(16-2)10-14-15-11(17-10)13-9-6-4-3-5-8(9)12/h3-7H,1-2H3,(H,13,15).
What are the key properties of N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine?
N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 269.76 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(1-methoxyethyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 163308231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).