N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide

C16H18ClFN4O2S — CID 148779699

IUPACN-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(Cl)ccn3)C[C@@H]2C)s1
InChIInChI=1S/C16H18ClFN4O2S/c1-9-5-12(24-14-6-11(17)3-4-19-14)7-22(9)8-13-15(18)21-16(25-13)20-10(2)23/h3-4,6,9,12H,5,7-8H2,1-2H3,(H,20,21,23)/t9-,12+/m0/s1
InChIKeyOKBBXUADQGPEIN-JOYOIKCWSA-N
MW384.86 g/mol
LogP3.33
Rot. Bonds5

About N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide

N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide (PubChem CID 148779699) has the molecular formula C16H18ClFN4O2S and a molecular weight of 384.86 g/mol. Its IUPAC name is N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
PubChem CID148779699
Molecular FormulaC16H18ClFN4O2S
Molecular Weight384.86 g/mol
Exact Mass384.08
IUPAC NameN-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(Cl)ccn3)C[C@@H]2C)s1
InChIInChI=1S/C16H18ClFN4O2S/c1-9-5-12(24-14-6-11(17)3-4-19-14)7-22(9)8-13-15(18)21-16(25-13)20-10(2)23/h3-4,6,9,12H,5,7-8H2,1-2H3,(H,20,21,23)/t9-,12+/m0/s1
InChIKeyOKBBXUADQGPEIN-JOYOIKCWSA-N
XLogP3.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide with MolForge

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Related Compounds

4-[(4-chloro-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155530940
4-[(6-chloro-2-pyridyl)oxy]-N-(5-methylthiazol-2-yl)butanamide
CID 155553594
1-[2-[(5-Chloro-2-pyridinyl)oxy]ethyl]-3-(1,3-thiazol-2-yl)urea
CID 71851267
1-[2-[(3-Chloro-2-pyridinyl)oxy]ethyl]-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 71969918
US20240308995, Example 1-52
CID 146448588
US20240308995, Example 1-5
CID 146448589
US20240308995, Example 1-48
CID 146448601
US20240308995, Example 1-2
CID 146448604
US20240308995, Example 1-6
CID 147474976
US20240308995, Example 1-99
CID 148256762
US20240308995, Example 1-114
CID 148441798
US20240308995, Example 1-51
CID 149090854

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide (CID 148779699) is N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2C[C@H](Oc3cc(Cl)ccn3)C[C@@H]2C)s1.
What is the InChIKey of N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The InChIKey is OKBBXUADQGPEIN-JOYOIKCWSA-N. The full InChI is InChI=1S/C16H18ClFN4O2S/c1-9-5-12(24-14-6-11(17)3-4-19-14)7-22(9)8-13-15(18)21-16(25-13)20-10(2)23/h3-4,6,9,12H,5,7-8H2,1-2H3,(H,20,21,23)/t9-,12+/m0/s1.
What are the key properties of N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide has a molecular weight of 384.86 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S,4R)-4-[(4-chloro-2-pyridinyl)oxy]-2-methylpyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 148779699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).