N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide

C17H20ClFN4OS — CID 155793631

IUPACN-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CCC(Cc3cc(C)ncc3Cl)C2)s1
InChIInChI=1S/C17H20ClFN4OS/c1-10-5-13(14(18)7-20-10)6-12-3-4-23(8-12)9-15-16(19)22-17(25-15)21-11(2)24/h5,7,12H,3-4,6,8-9H2,1-2H3,(H,21,22,24)
InChIKeyKUHUGUABTAJFAZ-UHFFFAOYSA-N
MW382.89 g/mol
LogP3.66
Rot. Bonds5

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

N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide (PubChem CID 155793631) has the molecular formula C17H20ClFN4OS and a molecular weight of 382.89 g/mol. Its IUPAC name is N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
PubChem CID155793631
Molecular FormulaC17H20ClFN4OS
Molecular Weight382.89 g/mol
Exact Mass382.10
IUPAC NameN-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(F)c(CN2CCC(Cc3cc(C)ncc3Cl)C2)s1
InChIInChI=1S/C17H20ClFN4OS/c1-10-5-13(14(18)7-20-10)6-12-3-4-23(8-12)9-15-16(19)22-17(25-15)21-11(2)24/h5,7,12H,3-4,6,8-9H2,1-2H3,(H,21,22,24)
InChIKeyKUHUGUABTAJFAZ-UHFFFAOYSA-N
XLogP3.66
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.89
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[(3S)-3-[(2,6-dimethyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide
CID 139500954
N-[4-fluoro-5-[[(2R,4R)-2-methyl-4-[(6-methylpyrimidin-4-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 159156417
N-[5-[[(3R)-3-[(5-fluoro-4,6-dimethylpyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 158570276
N-[4-bromo-5-[[(3R)-3-[(2,6-dimethyl-4-pyridinyl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 146284871
N-[5-[[3-[(2-ethyl-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135117
N-[4-fluoro-5-[[3-[(6-methoxypyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
CID 155793648
N-[5-[[3-[(5-methylpyridazin-3-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135529
N-[5-[[(3S)-3-[(3,4-difluorophenyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 139491268
cesium;carbanide;N-[5-[[3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 153344093
N-[5-[[3-[(2-ethoxy-6-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide;sulfane
CID 157485346
ethane;N-[4-fluoro-5-[[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 142406789
N-[5-[[(3R)-3-[(2,6-dimethylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135074

Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide (CID 155793631) is N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(F)c(CN2CCC(Cc3cc(C)ncc3Cl)C2)s1.
What is the InChIKey of N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
The InChIKey is KUHUGUABTAJFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN4OS/c1-10-5-13(14(18)7-20-10)6-12-3-4-23(8-12)9-15-16(19)22-17(25-15)21-11(2)24/h5,7,12H,3-4,6,8-9H2,1-2H3,(H,21,22,24).
What are the key properties of N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide has a molecular weight of 382.89 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[(5-chloro-2-methyl-4-pyridinyl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 155793631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).