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

C16H17F2N3OS — CID 3854076

IUPACN-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1csc(C2CCNCC2)n1
InChIInChI=1S/C16H17F2N3OS/c17-12-2-1-11(13(18)7-12)8-20-15(22)14-9-23-16(21-14)10-3-5-19-6-4-10/h1-2,7,9-10,19H,3-6,8H2,(H,20,22)
InChIKeyQBCSLQFBNZPZST-UHFFFAOYSA-N
MW337.40 g/mol
LogP2.82
Rot. Bonds4

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

N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 3854076) has the molecular formula C16H17F2N3OS and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID3854076
Molecular FormulaC16H17F2N3OS
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1csc(C2CCNCC2)n1
InChIInChI=1S/C16H17F2N3OS/c17-12-2-1-11(13(18)7-12)8-20-15(22)14-9-23-16(21-14)10-3-5-19-6-4-10/h1-2,7,9-10,19H,3-6,8H2,(H,20,22)
InChIKeyQBCSLQFBNZPZST-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-[(2,5-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-thiazole-4-carboxamide
CID 3846497
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3828657
N-[(4-chloro-2-methylphenyl)methyl]-2-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]-1,3-thiazole-4-carboxamide
CID 5011218
N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-yltriazole-4-carboxamide
CID 119708022
2-(1-aminoethyl)-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3705174
N-[(2,5-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3421206
N-[(2,4-difluorophenyl)methyl]-2-piperidin-3-yl-1,3-oxazole-4-carboxamide
CID 3770409
N-[2-(2-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3791349
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119708033
N-[2-(3-chlorophenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 3842964
N-[2-(2-ethoxyphenyl)ethyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide
CID 23798960
2-(azetidin-3-yl)-N-[(3-fluoro-2-pyridinyl)methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 129052163

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide (CID 3854076) is N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is O=C(NCc1ccc(F)cc1F)c1csc(C2CCNCC2)n1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is QBCSLQFBNZPZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3OS/c17-12-2-1-11(13(18)7-12)8-20-15(22)14-9-23-16(21-14)10-3-5-19-6-4-10/h1-2,7,9-10,19H,3-6,8H2,(H,20,22).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-2-piperidin-4-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-[(2,4-difluorophenyl)methyl]-2-piperidin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 3854076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).