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

C18H27N5S — CID 133428176

IUPACN-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCN(CC1CCN(c2ccccn2)CC1)c1nc(C(C)C)ns1
InChIInChI=1S/C18H27N5S/c1-4-22(18-20-17(14(2)3)21-24-18)13-15-8-11-23(12-9-15)16-7-5-6-10-19-16/h5-7,10,14-15H,4,8-9,11-13H2,1-3H3
InChIKeyNFOTTXRWFJXUMX-UHFFFAOYSA-N
MW345.52 g/mol
LogP3.80
Rot. Bonds6

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

N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine (PubChem CID 133428176) has the molecular formula C18H27N5S and a molecular weight of 345.52 g/mol. Its IUPAC name is N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
PubChem CID133428176
Molecular FormulaC18H27N5S
Molecular Weight345.52 g/mol
Exact Mass345.20
IUPAC NameN-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
SMILESCCN(CC1CCN(c2ccccn2)CC1)c1nc(C(C)C)ns1
InChIInChI=1S/C18H27N5S/c1-4-22(18-20-17(14(2)3)21-24-18)13-15-8-11-23(12-9-15)16-7-5-6-10-19-16/h5-7,10,14-15H,4,8-9,11-13H2,1-3H3
InChIKeyNFOTTXRWFJXUMX-UHFFFAOYSA-N
XLogP3.80
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.52
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

3-cyclopropyl-N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 133428041
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
(2S)-2-amino-N-ethyl-4-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pentanamide
CID 119891501
N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propan-2-amine
CID 62592659
N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]methanesulfonamide
CID 171335942
2-amino-N-ethyl-2-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 120597131
N-ethyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 71993295
N-ethyl-3-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]but-2-enamide
CID 71993309
2-amino-N-ethyl-3-phenyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]propanamide
CID 119891449
3-methoxy-N-methyl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]cyclobutan-1-amine
CID 171070329

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine (CID 133428176) is N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine is CCN(CC1CCN(c2ccccn2)CC1)c1nc(C(C)C)ns1.
What is the InChIKey of N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
The InChIKey is NFOTTXRWFJXUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5S/c1-4-22(18-20-17(14(2)3)21-24-18)13-15-8-11-23(12-9-15)16-7-5-6-10-19-16/h5-7,10,14-15H,4,8-9,11-13H2,1-3H3.
What are the key properties of N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine?
N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine has a molecular weight of 345.52 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-propan-2-yl-N-[(1-pyridin-2-ylpiperidin-4-yl)methyl]-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133428176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).