N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide

C14H17F2N5OS — CID 172595718

IUPACN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(CC(F)F)CC1)c1csc(-c2cnc[nH]2)n1
InChIInChI=1S/C14H17F2N5OS/c15-12(16)6-21-3-1-9(2-4-21)19-13(22)11-7-23-14(20-11)10-5-17-8-18-10/h5,7-9,12H,1-4,6H2,(H,17,18)(H,19,22)
InChIKeyXXDMATZWERXYJL-UHFFFAOYSA-N
MW341.39 g/mol
LogP1.99
Rot. Bonds5

About N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide

N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 172595718) has the molecular formula C14H17F2N5OS and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID172595718
Molecular FormulaC14H17F2N5OS
Molecular Weight341.39 g/mol
Exact Mass341.11
IUPAC NameN-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(NC1CCN(CC(F)F)CC1)c1csc(-c2cnc[nH]2)n1
InChIInChI=1S/C14H17F2N5OS/c15-12(16)6-21-3-1-9(2-4-21)19-13(22)11-7-23-14(20-11)10-5-17-8-18-10/h5,7-9,12H,1-4,6H2,(H,17,18)(H,19,22)
InChIKeyXXDMATZWERXYJL-UHFFFAOYSA-N
XLogP1.99
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,3-dichlorocyclobutyl)-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 172595745
2-(4-fluorophenyl)-N-[1-(2-methylpropyl)piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 78858936
N-[1-(difluoromethyl)cyclohexyl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 172595765
6-bromo-N-[1-(2,2-difluoroethyl)piperidin-4-yl]pyridazine-3-carboxamide;ethane
CID 144895125
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide
CID 167957814
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-pyridin-3-yl-1,3-oxazole-4-carboxamide
CID 138034276
N-(1-benzylpiperidin-4-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 27673424
2-methyl-N-(1-methylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 110465347
ethyl 4-[(2-methyl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 47445179
ethyl 4-[(2-pyridin-3-yl-1,3-thiazole-4-carbonyl)amino]piperidine-1-carboxylate
CID 3520150
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-3-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 49073387
2-(2-aminoethyl)-N-(1-ethylpiperidin-4-yl)-1,3-thiazole-4-carboxamide
CID 66389502

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide (CID 172595718) is N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide is O=C(NC1CCN(CC(F)F)CC1)c1csc(-c2cnc[nH]2)n1.
What is the InChIKey of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is XXDMATZWERXYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N5OS/c15-12(16)6-21-3-1-9(2-4-21)19-13(22)11-7-23-14(20-11)10-5-17-8-18-10/h5,7-9,12H,1-4,6H2,(H,17,18)(H,19,22).
What are the key properties of N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide?
N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 341.39 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2-difluoroethyl)piperidin-4-yl]-2-(1H-imidazol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 172595718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).