5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole

C15H22N2S — CID 163729315

IUPAC5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole
SMILESCC(C)N1CC(c2ncc(C3=CCCCC3)s2)C1
InChIInChI=1S/C15H22N2S/c1-11(2)17-9-13(10-17)15-16-8-14(18-15)12-6-4-3-5-7-12/h6,8,11,13H,3-5,7,9-10H2,1-2H3
InChIKeyASFDZMVTVZNZKH-UHFFFAOYSA-N
MW262.42 g/mol
LogP3.91
Rot. Bonds3

About 5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole

5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole (PubChem CID 163729315) has the molecular formula C15H22N2S and a molecular weight of 262.42 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole
PubChem CID163729315
Molecular FormulaC15H22N2S
Molecular Weight262.42 g/mol
Exact Mass262.15
IUPAC Name5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole
SMILESCC(C)N1CC(c2ncc(C3=CCCCC3)s2)C1
InChIInChI=1S/C15H22N2S/c1-11(2)17-9-13(10-17)15-16-8-14(18-15)12-6-4-3-5-7-12/h6,8,11,13H,3-5,7,9-10H2,1-2H3
InChIKeyASFDZMVTVZNZKH-UHFFFAOYSA-N
XLogP3.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.42
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[4-(2-methylsulfonylethyl)phenyl]-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole
CID 163867446
N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide
CID 166950490
8-[5-(cyclohexen-1-yl)pyrimidin-2-yl]-3-propan-2-yl-3,8-diazabicyclo[3.2.1]octane;2-methylpropanal
CID 155740614
1-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanamine
CID 115089818
1-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115090336
1-morpholin-4-yl-4-[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]butan-2-one
CID 163868397
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanol
CID 115089756
[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]methanamine
CID 115089816
2-[2-(1-propan-2-ylpiperidin-3-yl)-1,3-thiazol-5-yl]propan-1-ol
CID 115090387
2-[2-(1-propan-2-ylpyrrolidin-3-yl)-1,3-thiazol-5-yl]ethanol
CID 115089779
5-(1-propan-2-ylazetidin-3-yl)pyridin-2-amine
CID 137417873
5-(2-methoxyphenyl)-2-(1-methylazetidin-3-yl)-1,3-thiazole
CID 166936018

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole?
The IUPAC name of 5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole (CID 163729315) is 5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole.
What is the SMILES notation for 5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole?
The canonical SMILES for 5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole is CC(C)N1CC(c2ncc(C3=CCCCC3)s2)C1.
What is the InChIKey of 5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole?
The InChIKey is ASFDZMVTVZNZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2S/c1-11(2)17-9-13(10-17)15-16-8-14(18-15)12-6-4-3-5-7-12/h6,8,11,13H,3-5,7,9-10H2,1-2H3.
What are the key properties of 5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole?
5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole has a molecular weight of 262.42 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazole is sourced from PubChem (CID 163729315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).