3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine

C21H24N6OS — CID 155230453

IUPAC3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1Nc1nc(-c2ccc(OC3CCN(C4CC4)CC3)cn2)ns1
InChIInChI=1S/C21H24N6OS/c1-14-3-2-10-22-19(14)24-21-25-20(26-29-21)18-7-6-17(13-23-18)28-16-8-11-27(12-9-16)15-4-5-15/h2-3,6-7,10,13,15-16H,4-5,8-9,11-12H2,1H3,(H,22,24,25,26)
InChIKeyXXZUVEGAODGIGG-UHFFFAOYSA-N
MW408.53 g/mol
LogP4.05
Rot. Bonds6

About 3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine

3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (PubChem CID 155230453) has the molecular formula C21H24N6OS and a molecular weight of 408.53 g/mol. Its IUPAC name is 3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound Name3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
PubChem CID155230453
Molecular FormulaC21H24N6OS
Molecular Weight408.53 g/mol
Exact Mass408.17
IUPAC Name3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine
SMILESCc1cccnc1Nc1nc(-c2ccc(OC3CCN(C4CC4)CC3)cn2)ns1
InChIInChI=1S/C21H24N6OS/c1-14-3-2-10-22-19(14)24-21-25-20(26-29-21)18-7-6-17(13-23-18)28-16-8-11-27(12-9-16)15-4-5-15/h2-3,6-7,10,13,15-16H,4-5,8-9,11-12H2,1H3,(H,22,24,25,26)
InChIKeyXXZUVEGAODGIGG-UHFFFAOYSA-N
XLogP4.05
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine with MolForge

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Related Compounds

(5-Ethoxy-[3,3'']bipyridinyl-6-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11232032
(3-Ethoxy-5-pyrimidin-5-yl-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 44404946
4-(5-Methoxy-2-(6-methoxypyridin-3-ylamino)pyridin-3-YL)-6-methyl-1,3,5-triazin-2-amine
CID 59548371
3-[5-(1-cyclopropyl-3,3-difluoropiperidin-4-yl)oxypyridin-2-yl]-N-(3-methylpyridin-2-yl)-1,2,4-thiadiazol-5-amine
CID 155230143
3-N,3-N-dimethyl-2-N-[3-[5-propan-2-yloxy-4-(trifluoromethyl)pyridin-2-yl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
CID 155230212
N-(3-methoxy-2-pyridinyl)-3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-amine
CID 155230217
N-(3-methyl-2-pyridinyl)-3-[5-(oxan-4-yloxy)-2-pyridinyl]-1,2,4-thiadiazol-5-amine
CID 155230223
3-N-methyl-2-N-[3-(5-propan-2-yloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
CID 155230270
3-N,3-N-dimethyl-2-N-[3-[4-propan-2-yloxy-5-(trifluoromethyl)pyridin-2-yl]-1,2,4-thiadiazol-5-yl]pyridine-2,3-diamine
CID 155230283
3-methyl-N-[5-[5-(oxan-4-yloxy)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]pyridin-2-amine
CID 155230299
3-(3-cyclopropyloxypyridin-2-yl)-N-[5-propan-2-yl-4-(trifluoromethyl)pyridin-2-yl]-1,2,4-thiadiazol-5-amine
CID 155230314
2-N-[3-(5-cyclopropyloxy-2-pyridinyl)-1,2,4-thiadiazol-5-yl]-3-N,3-N-dimethylpyridine-2,3-diamine
CID 155230363

Frequently Asked Questions

What is the IUPAC name of 3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The IUPAC name of 3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine (CID 155230453) is 3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for 3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The canonical SMILES for 3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is Cc1cccnc1Nc1nc(-c2ccc(OC3CCN(C4CC4)CC3)cn2)ns1.
What is the InChIKey of 3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
The InChIKey is XXZUVEGAODGIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6OS/c1-14-3-2-10-22-19(14)24-21-25-20(26-29-21)18-7-6-17(13-23-18)28-16-8-11-27(12-9-16)15-4-5-15/h2-3,6-7,10,13,15-16H,4-5,8-9,11-12H2,1H3,(H,22,24,25,26).
What are the key properties of 3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine?
3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine has a molecular weight of 408.53 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(1-cyclopropylpiperidin-4-yl)oxy-2-pyridinyl]-N-(3-methyl-2-pyridinyl)-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 155230453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).