N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine

C12H14N4S — CID 82740630

IUPACN-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1cccnc1-c1nsc(NC2CC2)n1
InChIInChI=1S/C12H14N4S/c1-2-8-4-3-7-13-10(8)11-15-12(17-16-11)14-9-5-6-9/h3-4,7,9H,2,5-6H2,1H3,(H,14,15,16)
InChIKeyIAMNUMVTMCTSAV-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.74
Rot. Bonds4

About N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine

N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 82740630) has the molecular formula C12H14N4S and a molecular weight of 246.34 g/mol. Its IUPAC name is N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID82740630
Molecular FormulaC12H14N4S
Molecular Weight246.34 g/mol
Exact Mass246.09
IUPAC NameN-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCCc1cccnc1-c1nsc(NC2CC2)n1
InChIInChI=1S/C12H14N4S/c1-2-8-4-3-7-13-10(8)11-15-12(17-16-11)14-9-5-6-9/h3-4,7,9H,2,5-6H2,1H3,(H,14,15,16)
InChIKeyIAMNUMVTMCTSAV-UHFFFAOYSA-N
XLogP2.74
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 82741757
N-cyclopropyl-3-ethylpyridin-2-amine
CID 90352584
N-cyclopropyl-3-pyridin-4-yl-1,2,4-thiadiazol-5-amine
CID 65268376
N-[2-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopropanamine
CID 82737536
N-[[2-(3-ethyl-2-pyridinyl)-1,3-thiazol-4-yl]methyl]cyclopropanamine
CID 82740689
N-cyclopropyl-3-(pyridin-2-ylmethyl)-1,2,4-thiadiazol-5-amine
CID 65268605
N-[[2-(3-ethyl-2-pyridinyl)-4-propan-2-yl-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 114365516
N-cyclopropyl-3-(4-nitrophenyl)-1,2,4-thiadiazol-5-amine
CID 65269004
4-[3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-N-methylthiolan-3-amine
CID 83193430
6-cyclopropyl-N-ethyl-2-(3-ethyl-2-pyridinyl)-5-iodopyrimidin-4-amine
CID 82733246
5-chloro-3-(3-ethyl-2-pyridinyl)-1,2,4-oxadiazole
CID 82741728
4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739705

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 82740630) is N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is CCc1cccnc1-c1nsc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is IAMNUMVTMCTSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4S/c1-2-8-4-3-7-13-10(8)11-15-12(17-16-11)14-9-5-6-9/h3-4,7,9H,2,5-6H2,1H3,(H,14,15,16).
What are the key properties of N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 246.34 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-(3-ethyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 82740630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).