N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C16H20FN5OS — CID 139500287

IUPACN-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(C)c3ncc(F)cn3)C2)s1
InChIInChI=1S/C16H20FN5OS/c1-10(15-18-5-13(17)6-19-15)12-3-4-22(8-12)9-14-7-20-16(24-14)21-11(2)23/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,20,21,23)
InChIKeyRHWPITMCWHMRIB-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.66
Rot. Bonds5

About N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 139500287) has the molecular formula C16H20FN5OS and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID139500287
Molecular FormulaC16H20FN5OS
Molecular Weight349.44 g/mol
Exact Mass349.14
IUPAC NameN-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(C(C)c3ncc(F)cn3)C2)s1
InChIInChI=1S/C16H20FN5OS/c1-10(15-18-5-13(17)6-19-15)12-3-4-22(8-12)9-14-7-20-16(24-14)21-11(2)23/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,20,21,23)
InChIKeyRHWPITMCWHMRIB-UHFFFAOYSA-N
XLogP2.66
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 139500287) is N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(C(C)c3ncc(F)cn3)C2)s1.
What is the InChIKey of N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is RHWPITMCWHMRIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5OS/c1-10(15-18-5-13(17)6-19-15)12-3-4-22(8-12)9-14-7-20-16(24-14)21-11(2)23/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,20,21,23).
What are the key properties of N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 349.44 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-[1-(5-fluoropyrimidin-2-yl)ethyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 139500287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).