3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine

C18H25N5S — CID 133428041

IUPAC3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCN(CC1CCN(c2ccccn2)CC1)c1nc(C2CC2)ns1
InChIInChI=1S/C18H25N5S/c1-2-22(18-20-17(21-24-18)15-6-7-15)13-14-8-11-23(12-9-14)16-5-3-4-10-19-16/h3-5,10,14-15H,2,6-9,11-13H2,1H3
InChIKeyQLTVIGSJAVOGAZ-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.55
Rot. Bonds6

About 3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine

3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133428041) has the molecular formula C18H25N5S and a molecular weight of 343.50 g/mol. Its IUPAC name is 3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133428041
Molecular FormulaC18H25N5S
Molecular Weight343.50 g/mol
Exact Mass343.18
IUPAC Name3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCN(CC1CCN(c2ccccn2)CC1)c1nc(C2CC2)ns1
InChIInChI=1S/C18H25N5S/c1-2-22(18-20-17(21-24-18)15-6-7-15)13-14-8-11-23(12-9-14)16-5-3-4-10-19-16/h3-5,10,14-15H,2,6-9,11-13H2,1H3
InChIKeyQLTVIGSJAVOGAZ-UHFFFAOYSA-N
XLogP3.55
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133428176
2-amino-N-ethyl-2-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide;dihydrochloride
CID 119891442
N-ethyl-6-fluoro-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]quinazolin-4-amine
CID 133428174
(1-pyridin-2-ylpiperidin-4-yl)methanamine;dihydrochloride
CID 140971287
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71993295
2-amino-N-ethyl-2-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 120597131
N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
CID 71993309
3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine
CID 171070329
7-amino-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]heptanamide
CID 119891435
(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide
CID 119891501
5-cyclopropyl-3-(1-pyridin-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 133475123

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 133428041) is 3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine is CCN(CC1CCN(c2ccccn2)CC1)c1nc(C2CC2)ns1.
What is the InChIKey of 3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is QLTVIGSJAVOGAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5S/c1-2-22(18-20-17(21-24-18)15-6-7-15)13-14-8-11-23(12-9-14)16-5-3-4-10-19-16/h3-5,10,14-15H,2,6-9,11-13H2,1H3.
What are the key properties of 3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 343.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133428041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).