N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide

C16H17F2N3OS — CID 3846497

IUPACN-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1csc(C2CCCNC2)n1
InChIInChI=1S/C16H17F2N3OS/c17-12-3-4-13(18)11(6-12)8-20-15(22)14-9-23-16(21-14)10-2-1-5-19-7-10/h3-4,6,9-10,19H,1-2,5,7-8H2,(H,20,22)
InChIKeyRPVPHRVLSBJQQD-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.82
Rot. Bonds4

About N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide

N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 3846497) has the molecular formula C16H17F2N3OS and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID3846497
Molecular FormulaC16H17F2N3OS
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1cc(F)ccc1F)c1csc(C2CCCNC2)n1
InChIInChI=1S/C16H17F2N3OS/c17-12-3-4-13(18)11(6-12)8-20-15(22)14-9-23-16(21-14)10-2-1-5-19-7-10/h3-4,6,9-10,19H,1-2,5,7-8H2,(H,20,22)
InChIKeyRPVPHRVLSBJQQD-UHFFFAOYSA-N
XLogP2.82
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3854076
N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3770409
N-[(2,5-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3421206
N-[(4-chloro-2-methylphenyl)methyl]-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5011218
2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 129052163
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3828657
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide
CID 119556859
N-(2,3-dihydro-1H-inden-1-yl)-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3715181
2-(2,5-difluorophenyl)-N-(2-piperidin-3-ylethyl)acetamide;hydrochloride
CID 119556858
2-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119461121
N-[(2,5-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119709617
azocan-1-yl-(2-piperidin-3-yl-1,3-thiazol-4-yl)methanone
CID 3678062

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide (CID 3846497) is N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide is O=C(NCc1cc(F)ccc1F)c1csc(C2CCCNC2)n1.
What is the InChIKey of N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is RPVPHRVLSBJQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c17-12-3-4-13(18)11(6-12)8-20-15(22)14-9-23-16(21-14)10-2-1-5-19-7-10/h3-4,6,9-10,19H,1-2,5,7-8H2,(H,20,22).
What are the key properties of N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide?
N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3846497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).