5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole

C9H13FN2S — CID 84775889

IUPAC5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole
SMILESFCc1cnc(C2CCNCC2)s1
InChIInChI=1S/C9H13FN2S/c10-5-8-6-12-9(13-8)7-1-3-11-4-2-7/h6-7,11H,1-5H2
InChIKeyIHXBOZRMYHXZDC-UHFFFAOYSA-N
MW200.28 g/mol
LogP2.08
Rot. Bonds2

About 5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole

5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole (PubChem CID 84775889) has the molecular formula C9H13FN2S and a molecular weight of 200.28 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole.

Molecular Properties

Compound Name5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole
PubChem CID84775889
Molecular FormulaC9H13FN2S
Molecular Weight200.28 g/mol
Exact Mass200.08
IUPAC Name5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole
SMILESFCc1cnc(C2CCNCC2)s1
InChIInChI=1S/C9H13FN2S/c10-5-8-6-12-9(13-8)7-1-3-11-4-2-7/h6-7,11H,1-5H2
InChIKeyIHXBOZRMYHXZDC-UHFFFAOYSA-N
XLogP2.08
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,3-Thiazol-2-yl)piperidine
CID 24261825
(2-(2-Methylpropyl)-1,3-thiazol-5-yl)methanamine
CID 57487274
2-(Piperidin-4-ylmethyl)thiazole
CID 24262107
2-(5-Methyl-1,3-thiazol-2-yl)propan-1-amine
CID 24274474
4-(5-Methyl-1,3-thiazol-2-yl)piperidine
CID 62651152
4-(5-Bromo-1,3-thiazol-2-yl)piperidine
CID 45788819
4-(1,3-Thiazol-5-yl)piperidine dihydrochloride
CID 126810939
5-[[4-(Fluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 126793861
5-(Piperidin-4-yl)thiazole
CID 82413083
2-(Piperazin-1-ylmethyl)-5-(trifluoromethyl)-1,3-thiazole
CID 120833610
2-(4-Fluoropiperidin-4-yl)-1,3-thiazole
CID 145536281
5-[(4-Fluoropiperidin-4-yl)methyl]-2-methyl-1,3-thiazole
CID 163385852

Frequently Asked Questions

What is the IUPAC name of 5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole?
The IUPAC name of 5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole (CID 84775889) is 5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole.
What is the SMILES notation for 5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole?
The canonical SMILES for 5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole is FCc1cnc(C2CCNCC2)s1.
What is the InChIKey of 5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole?
The InChIKey is IHXBOZRMYHXZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2S/c10-5-8-6-12-9(13-8)7-1-3-11-4-2-7/h6-7,11H,1-5H2.
What are the key properties of 5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole?
5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole has a molecular weight of 200.28 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-piperidin-4-yl-1,3-thiazole is sourced from PubChem (CID 84775889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).