4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole

C10H12F2N2S — CID 126834123

IUPAC4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)=C1CCN(Cc2cscn2)CC1
InChIInChI=1S/C10H12F2N2S/c11-10(12)8-1-3-14(4-2-8)5-9-6-15-7-13-9/h6-7H,1-5H2
InChIKeyPVDGVDWHKHQERB-UHFFFAOYSA-N
MW230.28 g/mol
LogP2.89
Rot. Bonds2

About 4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole

4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole (PubChem CID 126834123) has the molecular formula C10H12F2N2S and a molecular weight of 230.28 g/mol. Its IUPAC name is 4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole
PubChem CID126834123
Molecular FormulaC10H12F2N2S
Molecular Weight230.28 g/mol
Exact Mass230.07
IUPAC Name4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole
SMILESFC(F)=C1CCN(Cc2cscn2)CC1
InChIInChI=1S/C10H12F2N2S/c11-10(12)8-1-3-14(4-2-8)5-9-6-15-7-13-9/h6-7H,1-5H2
InChIKeyPVDGVDWHKHQERB-UHFFFAOYSA-N
XLogP2.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-((1,3-Thiazol-4-yl)methyl)piperidin-4-amine
CID 43556525
4-[[(3S)-3-piperidin-1-ylpyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99973505
4-[(4-Propan-2-ylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 58395264
4-[(4-Methylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 68260724
4-[(4-Ethylpiperidin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 68261207
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)acetonitrile
CID 118297269
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine
CID 124183598
2-(4,4-Difluoropiperidin-1-yl)-2-(1,3-thiazol-4-yl)ethanamine;ethane
CID 144898616
2-[(4,4-Difluoropiperidin-1-yl)methyl]-4-propan-2-yl-1,3-thiazole
CID 178169613
2-Ethyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53513522
2-Propyl-4-[[3-(trifluoromethyl)piperidin-1-yl]methyl]-1,3-thiazole
CID 53513624
4-[[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]methyl]-1,3-thiazole
CID 53517695

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole (CID 126834123) is 4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole is FC(F)=C1CCN(Cc2cscn2)CC1.
What is the InChIKey of 4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole?
The InChIKey is PVDGVDWHKHQERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2S/c11-10(12)8-1-3-14(4-2-8)5-9-6-15-7-13-9/h6-7H,1-5H2.
What are the key properties of 4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole?
4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole has a molecular weight of 230.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(difluoromethylidene)piperidin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 126834123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).