N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide

C16H19F2N5OS — CID 139500160

IUPACN-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(F)c(CN2CC[C@H](Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C16H19F2N5OS/c1-2-14(24)21-16-22-15(18)12(25-16)9-23-4-3-10(8-23)5-13-19-6-11(17)7-20-13/h6-7,10H,2-5,8-9H2,1H3,(H,21,22,24)/t10-/m1/s1
InChIKeyYXCCOOQNZSEEHB-SNVBAGLBSA-N
MW367.43 g/mol
LogP2.62
Rot. Bonds6

About N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide

N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 139500160) has the molecular formula C16H19F2N5OS and a molecular weight of 367.43 g/mol. Its IUPAC name is N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID139500160
Molecular FormulaC16H19F2N5OS
Molecular Weight367.43 g/mol
Exact Mass367.13
IUPAC NameN-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(F)c(CN2CC[C@H](Cc3ncc(F)cn3)C2)s1
InChIInChI=1S/C16H19F2N5OS/c1-2-14(24)21-16-22-15(18)12(25-16)9-23-4-3-10(8-23)5-13-19-6-11(17)7-20-13/h6-7,10H,2-5,8-9H2,1H3,(H,21,22,24)/t10-/m1/s1
InChIKeyYXCCOOQNZSEEHB-SNVBAGLBSA-N
XLogP2.62
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide (CID 139500160) is N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(F)c(CN2CC[C@H](Cc3ncc(F)cn3)C2)s1.
What is the InChIKey of N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is YXCCOOQNZSEEHB-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H19F2N5OS/c1-2-14(24)21-16-22-15(18)12(25-16)9-23-4-3-10(8-23)5-13-19-6-11(17)7-20-13/h6-7,10H,2-5,8-9H2,1H3,(H,21,22,24)/t10-/m1/s1.
What are the key properties of N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide?
N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 367.43 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-5-[[(3R)-3-[(5-fluoropyrimidin-2-yl)methyl]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 139500160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).