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

C15H19N5OS — CID 135135549

IUPACN-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3cncnc3)C2)s1
InChIInChI=1S/C15H19N5OS/c1-11(21)19-15-18-7-14(22-15)9-20-3-2-12(8-20)4-13-5-16-10-17-6-13/h5-7,10,12H,2-4,8-9H2,1H3,(H,18,19,21)
InChIKeyFDDVPOPRKWSTHV-UHFFFAOYSA-N
MW317.42 g/mol
LogP1.96
Rot. Bonds5

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

N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 135135549) has the molecular formula C15H19N5OS and a molecular weight of 317.42 g/mol. Its IUPAC name is N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID135135549
Molecular FormulaC15H19N5OS
Molecular Weight317.42 g/mol
Exact Mass317.13
IUPAC NameN-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(CN2CCC(Cc3cncnc3)C2)s1
InChIInChI=1S/C15H19N5OS/c1-11(21)19-15-18-7-14(22-15)9-20-3-2-12(8-20)4-13-5-16-10-17-6-13/h5-7,10,12H,2-4,8-9H2,1H3,(H,18,19,21)
InChIKeyFDDVPOPRKWSTHV-UHFFFAOYSA-N
XLogP1.96
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 135135549) is N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(CN2CCC(Cc3cncnc3)C2)s1.
What is the InChIKey of N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is FDDVPOPRKWSTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5OS/c1-11(21)19-15-18-7-14(22-15)9-20-3-2-12(8-20)4-13-5-16-10-17-6-13/h5-7,10,12H,2-4,8-9H2,1H3,(H,18,19,21).
What are the key properties of N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 317.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[3-(pyrimidin-5-ylmethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 135135549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).