4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

C16H16FN3S — CID 16662328

IUPAC4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(N3CCC(F)CC3)nc2)cs1
InChIInChI=1S/C16H16FN3S/c1-12-19-15(11-21-12)4-2-13-3-5-16(18-10-13)20-8-6-14(17)7-9-20/h3,5,10-11,14H,6-9H2,1H3
InChIKeyQRZXUQDZALTFIM-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.18
Rot. Bonds1

About 4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole

4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (PubChem CID 16662328) has the molecular formula C16H16FN3S and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
PubChem CID16662328
Molecular FormulaC16H16FN3S
Molecular Weight301.39 g/mol
Exact Mass301.10
IUPAC Name4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole
SMILESCc1nc(C#Cc2ccc(N3CCC(F)CC3)nc2)cs1
InChIInChI=1S/C16H16FN3S/c1-12-19-15(11-21-12)4-2-13-3-5-16(18-10-13)20-8-6-14(17)7-9-20/h3,5,10-11,14H,6-9H2,1H3
InChIKeyQRZXUQDZALTFIM-UHFFFAOYSA-N
XLogP3.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 9794218
CID 9794218
CID 11608287
CID 11608287
CID 750531
CID 750531
CID 930237
CID 930237
CID 972880
CID 972880
CID 11564671
CID 11564671
CID 11615445
CID 11615445
CID 10390073
CID 10390073
CID 972421
CID 972421
CID 667583
CID 667583
CID 972993
CID 972993
CID 1092430
CID 1092430

Frequently Asked Questions

What is the IUPAC name of 4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole (CID 16662328) is 4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is Cc1nc(C#Cc2ccc(N3CCC(F)CC3)nc2)cs1.
What is the InChIKey of 4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
The InChIKey is QRZXUQDZALTFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3S/c1-12-19-15(11-21-12)4-2-13-3-5-16(18-10-13)20-8-6-14(17)7-9-20/h3,5,10-11,14H,6-9H2,1H3.
What are the key properties of 4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole?
4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole has a molecular weight of 301.39 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[6-(4-fluoropiperidin-1-yl)-3-pyridinyl]ethynyl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 16662328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).