3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine

C10H10Cl2N4S — CID 79777620

IUPAC3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2ncc(Cl)cc2Cl)ns1
InChIInChI=1S/C10H10Cl2N4S/c1-2-3-13-10-15-9(16-17-10)8-7(12)4-6(11)5-14-8/h4-5H,2-3H2,1H3,(H,13,15,16)
InChIKeyLDUHODAFOWPUFQ-UHFFFAOYSA-N
MW289.19 g/mol
LogP3.73
Rot. Bonds4

About 3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine

3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 79777620) has the molecular formula C10H10Cl2N4S and a molecular weight of 289.19 g/mol. Its IUPAC name is 3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine
PubChem CID79777620
Molecular FormulaC10H10Cl2N4S
Molecular Weight289.19 g/mol
Exact Mass288.00
IUPAC Name3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCNc1nc(-c2ncc(Cl)cc2Cl)ns1
InChIInChI=1S/C10H10Cl2N4S/c1-2-3-13-10-15-9(16-17-10)8-7(12)4-6(11)5-14-8/h4-5H,2-3H2,1H3,(H,13,15,16)
InChIKeyLDUHODAFOWPUFQ-UHFFFAOYSA-N
XLogP3.73
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.19
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-fluorophenyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268814
6-cyclopropyl-2-(3,5-dichloro-2-pyridinyl)-N-propylpyrimidin-4-amine
CID 79784106
N-propyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
CID 65268415
3,5-dichloro-N-propylpyridin-2-amine
CID 30058037
N-propyl-3-(1H-pyrazol-4-yl)-1,2,4-thiadiazol-5-amine
CID 137213794
N-propyl-3-thiophen-2-yl-1,2,4-thiadiazol-5-amine
CID 65268420
3-(4-ethylphenyl)-N-propyl-1,2,4-thiadiazol-5-amine
CID 65268471
5-(chloromethyl)-2-(3,5-dichloro-2-pyridinyl)-4-ethylpyrimidine
CID 114205364
3-[(dimethylamino)methyl]-N-propyl-1,2,4-thiadiazol-5-amine
CID 79084999
N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 82741757
N-[2-(4-chlorophenyl)ethyl]-3-propyl-1,2,4-thiadiazol-5-amine
CID 65277040
3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine (CID 79777620) is 3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine is CCCNc1nc(-c2ncc(Cl)cc2Cl)ns1.
What is the InChIKey of 3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is LDUHODAFOWPUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4S/c1-2-3-13-10-15-9(16-17-10)8-7(12)4-6(11)5-14-8/h4-5H,2-3H2,1H3,(H,13,15,16).
What are the key properties of 3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine?
3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 289.19 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-2-pyridinyl)-N-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 79777620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).