2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole

C12H17N3S — CID 166936052

IUPAC2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
SMILESCN1CC(c2ncc(C3=CCNCC3)s2)C1
InChIInChI=1S/C12H17N3S/c1-15-7-10(8-15)12-14-6-11(16-12)9-2-4-13-5-3-9/h2,6,10,13H,3-5,7-8H2,1H3
InChIKeyYFTNVPSJQFKRQL-UHFFFAOYSA-N
MW235.36 g/mol
LogP1.55
Rot. Bonds2

About 2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole

2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole (PubChem CID 166936052) has the molecular formula C12H17N3S and a molecular weight of 235.36 g/mol. Its IUPAC name is 2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
PubChem CID166936052
Molecular FormulaC12H17N3S
Molecular Weight235.36 g/mol
Exact Mass235.11
IUPAC Name2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
SMILESCN1CC(c2ncc(C3=CCNCC3)s2)C1
InChIInChI=1S/C12H17N3S/c1-15-7-10(8-15)12-14-6-11(16-12)9-2-4-13-5-3-9/h2,6,10,13H,3-5,7-8H2,1H3
InChIKeyYFTNVPSJQFKRQL-UHFFFAOYSA-N
XLogP1.55
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.36
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1,3-Thiazol-5-yl)-1,2,3,6-tetrahydropyridine dihydrochloride
CID 145994643
5-(1,2,3,6-Tetrahydropyridin-4-yl)-2-(trifluoromethyl)-1,3-thiazole
CID 106784090
(Z)-N-(2-methylpropyl)-4-[2-(trifluoromethyl)-1,3-thiazol-5-yl]pent-3-en-1-amine
CID 106784483
5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1,3-thiazole
CID 89129025
2-Methyl-5-(3-methylcyclohexa-1,3-dien-1-yl)-1,3-thiazole
CID 89354527
5-(1,2,3,6-Tetrahydropyridin-5-yl)-1,3-thiazole
CID 139358445
5-Cyclohexa-1,3-dien-1-yl-2-propan-2-yl-1,3-thiazole
CID 139505736
2-methyl-5-[(1E,3Z,6Z)-5-methylcycloocta-1,3,6-trien-1-yl]-1,3-thiazole
CID 142146926
N-[[5-[(E)-but-2-en-2-yl]-1,3-thiazol-2-yl]methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine;ethane;prop-1-ene
CID 143088073
5-(5-Methylcyclohexa-1,3-dien-1-yl)-2-propan-2-yl-1,3-thiazole
CID 156172385
N-[(2E,4E)-2-methyl-5-[2-(1-methylazetidin-3-yl)-1,3-thiazol-5-yl]hepta-2,4,6-trienyl]methanesulfonamide
CID 166950642
2-(1-Propan-2-ylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole
CID 166950736

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole?
The IUPAC name of 2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole (CID 166936052) is 2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole.
What is the SMILES notation for 2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole?
The canonical SMILES for 2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole is CN1CC(c2ncc(C3=CCNCC3)s2)C1.
What is the InChIKey of 2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole?
The InChIKey is YFTNVPSJQFKRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3S/c1-15-7-10(8-15)12-14-6-11(16-12)9-2-4-13-5-3-9/h2,6,10,13H,3-5,7-8H2,1H3.
What are the key properties of 2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole?
2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole has a molecular weight of 235.36 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylazetidin-3-yl)-5-(1,2,3,6-tetrahydropyridin-4-yl)-1,3-thiazole is sourced from PubChem (CID 166936052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).