N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide

C18H24FN5OS — CID 161396238

IUPACN-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(F)c(CN2CCC[C@H](Cc3cc(C)ncn3)C2)s1
InChIInChI=1S/C18H24FN5OS/c1-3-16(25)22-18-23-17(19)15(26-18)10-24-6-4-5-13(9-24)8-14-7-12(2)20-11-21-14/h7,11,13H,3-6,8-10H2,1-2H3,(H,22,23,25)/t13-/m1/s1
InChIKeyVTQDNQMKQJTIRE-CYBMUJFWSA-N
MW377.49 g/mol
LogP3.18
Rot. Bonds6

About N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide

N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide (PubChem CID 161396238) has the molecular formula C18H24FN5OS and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
PubChem CID161396238
Molecular FormulaC18H24FN5OS
Molecular Weight377.49 g/mol
Exact Mass377.17
IUPAC NameN-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide
SMILESCCC(=O)Nc1nc(F)c(CN2CCC[C@H](Cc3cc(C)ncn3)C2)s1
InChIInChI=1S/C18H24FN5OS/c1-3-16(25)22-18-23-17(19)15(26-18)10-24-6-4-5-13(9-24)8-14-7-12(2)20-11-21-14/h7,11,13H,3-6,8-10H2,1-2H3,(H,22,23,25)/t13-/m1/s1
InChIKeyVTQDNQMKQJTIRE-CYBMUJFWSA-N
XLogP3.18
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.18
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-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide?
The IUPAC name of N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide (CID 161396238) is N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide is CCC(=O)Nc1nc(F)c(CN2CCC[C@H](Cc3cc(C)ncn3)C2)s1.
What is the InChIKey of N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide?
The InChIKey is VTQDNQMKQJTIRE-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24FN5OS/c1-3-16(25)22-18-23-17(19)15(26-18)10-24-6-4-5-13(9-24)8-14-7-12(2)20-11-21-14/h7,11,13H,3-6,8-10H2,1-2H3,(H,22,23,25)/t13-/m1/s1.
What are the key properties of N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide?
N-[4-fluoro-5-[[(3R)-3-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide has a molecular weight of 377.49 g/mol, XLogP of 3.18, 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-[(6-methylpyrimidin-4-yl)methyl]piperidin-1-yl]methyl]-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 161396238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).