4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole

C14H16FN3S — CID 112583406

IUPAC4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole
SMILESCc1sc(C2CCCNC2)nc1-c1ccc(F)cn1
InChIInChI=1S/C14H16FN3S/c1-9-13(12-5-4-11(15)8-17-12)18-14(19-9)10-3-2-6-16-7-10/h4-5,8,10,16H,2-3,6-7H2,1H3
InChIKeyNVRCRDXIGVNGHP-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.12
Rot. Bonds2

About 4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole

4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole (PubChem CID 112583406) has the molecular formula C14H16FN3S and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole.

Molecular Properties

Compound Name4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole
PubChem CID112583406
Molecular FormulaC14H16FN3S
Molecular Weight277.37 g/mol
Exact Mass277.10
IUPAC Name4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole
SMILESCc1sc(C2CCCNC2)nc1-c1ccc(F)cn1
InChIInChI=1S/C14H16FN3S/c1-9-13(12-5-4-11(15)8-17-12)18-14(19-9)10-3-2-6-16-7-10/h4-5,8,10,16H,2-3,6-7H2,1H3
InChIKeyNVRCRDXIGVNGHP-UHFFFAOYSA-N
XLogP3.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole?
The IUPAC name of 4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole (CID 112583406) is 4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole.
What is the SMILES notation for 4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole?
The canonical SMILES for 4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole is Cc1sc(C2CCCNC2)nc1-c1ccc(F)cn1.
What is the InChIKey of 4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole?
The InChIKey is NVRCRDXIGVNGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3S/c1-9-13(12-5-4-11(15)8-17-12)18-14(19-9)10-3-2-6-16-7-10/h4-5,8,10,16H,2-3,6-7H2,1H3.
What are the key properties of 4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole?
4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole has a molecular weight of 277.37 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-pyridinyl)-5-methyl-2-piperidin-3-yl-1,3-thiazole is sourced from PubChem (CID 112583406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).