5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine

C9H9ClN4S — CID 135396830

IUPAC5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(-c2ccnc(Cl)c2)s1
InChIInChI=1S/C9H9ClN4S/c1-14(2)9-13-12-8(15-9)6-3-4-11-7(10)5-6/h3-5H,1-2H3
InChIKeyPHWSJQZHDUKXOB-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.32
Rot. Bonds2

About 5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine

5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (PubChem CID 135396830) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
PubChem CID135396830
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
SMILESCN(C)c1nnc(-c2ccnc(Cl)c2)s1
InChIInChI=1S/C9H9ClN4S/c1-14(2)9-13-12-8(15-9)6-3-4-11-7(10)5-6/h3-5H,1-2H3
InChIKeyPHWSJQZHDUKXOB-UHFFFAOYSA-N
XLogP2.32
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-(6-chloro-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 135396917
5-(3-amino-4-chlorophenyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 82482135
N,N-dimethyl-5-[4-(methylamino)phenyl]-1,3,4-thiadiazol-2-amine
CID 82476029
5-(2-bromo-3-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine
CID 135395559
5-[(2-chloro-4-pyridinyl)oxy]-N,N-dimethyl-4-phenyl-1,3-thiazol-2-amine
CID 169196519
2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 134619705
N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N-methylpyridine-2-carboxamide
CID 1451649
2-(chloromethyl)-5-(2-methyl-4-pyridinyl)-1,3,4-thiadiazole
CID 106754395
5-(2-chloro-4-pyridinyl)-4-methyl-1,3-thiazol-2-amine
CID 86653054
2-chloro-4-[5-(4-methoxyphenyl)thiophen-2-yl]pyridine
CID 51353922
N-[5-[3-(dimethylamino)phenyl]-1,3,4-thiadiazol-2-yl]-N-methylacetamide
CID 3231183
2-chloro-4-(4-ethyl-3-methylphenyl)pyridine
CID 122646749

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine (CID 135396830) is 5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is CN(C)c1nnc(-c2ccnc(Cl)c2)s1.
What is the InChIKey of 5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is PHWSJQZHDUKXOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/c1-14(2)9-13-12-8(15-9)6-3-4-11-7(10)5-6/h3-5H,1-2H3.
What are the key properties of 5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine?
5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 240.72 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-pyridinyl)-N,N-dimethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 135396830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).