N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide

C19H24FN3OS — CID 119718739

IUPACN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ncc(Cc2ccccc2F)s1)C1CCCNC1
InChIInChI=1S/C19H24FN3OS/c1-13(15-6-4-8-21-11-15)9-18(24)23-19-22-12-16(25-19)10-14-5-2-3-7-17(14)20/h2-3,5,7,12-13,15,21H,4,6,8-11H2,1H3,(H,22,23,24)
InChIKeyCZJWTLUQLGPRNP-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.84
Rot. Bonds6

About N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide (PubChem CID 119718739) has the molecular formula C19H24FN3OS and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
PubChem CID119718739
Molecular FormulaC19H24FN3OS
Molecular Weight361.49 g/mol
Exact Mass361.16
IUPAC NameN-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide
SMILESCC(CC(=O)Nc1ncc(Cc2ccccc2F)s1)C1CCCNC1
InChIInChI=1S/C19H24FN3OS/c1-13(15-6-4-8-21-11-15)9-18(24)23-19-22-12-16(25-19)10-14-5-2-3-7-17(14)20/h2-3,5,7,12-13,15,21H,4,6,8-11H2,1H3,(H,22,23,24)
InChIKeyCZJWTLUQLGPRNP-UHFFFAOYSA-N
XLogP3.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 119286796
N-(3-fluoro-4-pyridinyl)-3-piperidin-3-ylbutanamide
CID 107594934
3-piperidin-3-yl-N-pyrimidin-2-ylbutanamide
CID 81043820
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide
CID 119777366
N-(3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671066
N-[5-[(4-methylphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119777365
N-(4-phenyl-1,3-thiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670223
N-[1-(2,6-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716485
N-(4-methyl-1,3-benzothiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679567
N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119679508
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]-3-piperidin-3-ylbutanamide
CID 119723826
3-piperidin-3-yl-N-(pyridin-2-ylmethyl)butanamide
CID 81043996

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide (CID 119718739) is N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide is CC(CC(=O)Nc1ncc(Cc2ccccc2F)s1)C1CCCNC1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide?
The InChIKey is CZJWTLUQLGPRNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3OS/c1-13(15-6-4-8-21-11-15)9-18(24)23-19-22-12-16(25-19)10-14-5-2-3-7-17(14)20/h2-3,5,7,12-13,15,21H,4,6,8-11H2,1H3,(H,22,23,24).
What are the key properties of N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide?
N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide has a molecular weight of 361.49 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methyl]-1,3-thiazol-2-yl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119718739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).