5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole

C10H15FN2S — CID 23571142

IUPAC5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(N2CC(C)(F)C2)s1
InChIInChI=1S/C10H15FN2S/c1-7(2)9-12-4-8(14-9)13-5-10(3,11)6-13/h4,7H,5-6H2,1-3H3
InChIKeyKTDKNVNMTMNWIJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.81
Rot. Bonds2

About 5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole

5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole (PubChem CID 23571142) has the molecular formula C10H15FN2S and a molecular weight of 214.31 g/mol. Its IUPAC name is 5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole
PubChem CID23571142
Molecular FormulaC10H15FN2S
Molecular Weight214.31 g/mol
Exact Mass214.09
IUPAC Name5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole
SMILESCC(C)c1ncc(N2CC(C)(F)C2)s1
InChIInChI=1S/C10H15FN2S/c1-7(2)9-12-4-8(14-9)13-5-10(3,11)6-13/h4,7H,5-6H2,1-3H3
InChIKeyKTDKNVNMTMNWIJ-UHFFFAOYSA-N
XLogP2.81
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Propan-2-yl-1,3-thiazol-5-amine
CID 45121744
5-(3-Fluoro-3-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571133
5-(4-Fluoro-4-methylpiperidin-1-yl)-2-propan-2-yl-1,3-thiazole
CID 23571137
5-(3,3-Difluoroazetidin-1-yl)-2-methyl-1,3-thiazole;ethane
CID 143331090
2-(2-Fluoropropan-2-yl)-1,3-thiazol-5-amine
CID 84764246
5-Bromo-2-[1-(3-fluoroazetidin-1-yl)ethyl]-1,3-thiazole
CID 127001257
2-[(3-Fluoroazetidin-1-yl)methyl]-1,3-thiazole
CID 130723714
2-[[3-(Difluoromethyl)azetidin-1-yl]methyl]-1,3-thiazole
CID 133630334
5-(3,3-Difluoroazetidin-1-yl)-2-methyl-1,3-thiazole
CID 143331091
5-(3,3-Difluoroazetidin-1-yl)-2-iodo-1,3-thiazole
CID 162549396
5-Piperidin-1-yl-2-propan-2-yl-1,3-thiazole
CID 20811489
2-Ethylthiazol-5-amine
CID 45788225

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole?
The IUPAC name of 5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole (CID 23571142) is 5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole?
The canonical SMILES for 5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole is CC(C)c1ncc(N2CC(C)(F)C2)s1.
What is the InChIKey of 5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole?
The InChIKey is KTDKNVNMTMNWIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2S/c1-7(2)9-12-4-8(14-9)13-5-10(3,11)6-13/h4,7H,5-6H2,1-3H3.
What are the key properties of 5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole?
5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole has a molecular weight of 214.31 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-3-methylazetidin-1-yl)-2-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 23571142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).