4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole

C18H25N3S — CID 155983349

IUPAC4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole
SMILESCc1nc(-c2cccc(C3CCCN(C(C)C)C3)n2)sc1C
InChIInChI=1S/C18H25N3S/c1-12(2)21-10-6-7-15(11-21)16-8-5-9-17(20-16)18-19-13(3)14(4)22-18/h5,8-9,12,15H,6-7,10-11H2,1-4H3
InChIKeyZSGMVDRFXUZIDZ-UHFFFAOYSA-N
MW315.49 g/mol
LogP4.41
Rot. Bonds3

About 4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole

4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole (PubChem CID 155983349) has the molecular formula C18H25N3S and a molecular weight of 315.49 g/mol. Its IUPAC name is 4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole.

Molecular Properties

Compound Name4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole
PubChem CID155983349
Molecular FormulaC18H25N3S
Molecular Weight315.49 g/mol
Exact Mass315.18
IUPAC Name4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole
SMILESCc1nc(-c2cccc(C3CCCN(C(C)C)C3)n2)sc1C
InChIInChI=1S/C18H25N3S/c1-12(2)21-10-6-7-15(11-21)16-8-5-9-17(20-16)18-19-13(3)14(4)22-18/h5,8-9,12,15H,6-7,10-11H2,1-4H3
InChIKeyZSGMVDRFXUZIDZ-UHFFFAOYSA-N
XLogP4.41
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.49
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole with MolForge

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Related Compounds

2-bromo-6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyridine
CID 95804433
5-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]pyridin-2-amine
CID 110254388
3-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-oxazolidin-2-one
CID 110096500
3-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]-2-pyridinyl]propanoic acid
CID 124938907
N-methyl-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-amine
CID 124964857
4-methyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-3-pyridinyl]-1,3-thiazole
CID 110100398
2-(2-methylpropyl)-5-[6-(1-propan-2-ylpiperidin-3-yl)pyrazin-2-yl]-1,3-thiazole
CID 110130923
2-(2-methylpropyl)-5-[6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
CID 124974214
6-methyl-2-(1-propan-2-ylpiperidin-3-yl)imidazo[1,2-a]pyridine
CID 117129402
2-(2,3-dimethylimidazol-4-yl)-6-[(3R)-1-propan-2-ylpiperidin-3-yl]pyrazine
CID 125005520
5-[6-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazin-2-yl]-1,3-thiazole
CID 125023963
2-(3,5-dimethyl-1H-pyrazol-4-yl)-5-[(3S)-1-propan-2-ylpiperidin-3-yl]pyrazine
CID 124972404

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole?
The IUPAC name of 4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole (CID 155983349) is 4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole.
What is the SMILES notation for 4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole?
The canonical SMILES for 4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole is Cc1nc(-c2cccc(C3CCCN(C(C)C)C3)n2)sc1C.
What is the InChIKey of 4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole?
The InChIKey is ZSGMVDRFXUZIDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3S/c1-12(2)21-10-6-7-15(11-21)16-8-5-9-17(20-16)18-19-13(3)14(4)22-18/h5,8-9,12,15H,6-7,10-11H2,1-4H3.
What are the key properties of 4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole?
4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole has a molecular weight of 315.49 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[6-(1-propan-2-ylpiperidin-3-yl)-2-pyridinyl]-1,3-thiazole is sourced from PubChem (CID 155983349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).