N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

C14H17N5O2S — CID 56802339

IUPACN-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCCC2Cn2cccn2)cs1
InChIInChI=1S/C14H17N5O2S/c1-10(20)16-14-17-12(9-22-14)13(21)19-7-2-4-11(19)8-18-6-3-5-15-18/h3,5-6,9,11H,2,4,7-8H2,1H3,(H,16,17,20)
InChIKeyWDDKYFUTDQZLMU-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.60
Rot. Bonds4

About N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide

N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 56802339) has the molecular formula C14H17N5O2S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
PubChem CID56802339
Molecular FormulaC14H17N5O2S
Molecular Weight319.39 g/mol
Exact Mass319.11
IUPAC NameN-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C(=O)N2CCCC2Cn2cccn2)cs1
InChIInChI=1S/C14H17N5O2S/c1-10(20)16-14-17-12(9-22-14)13(21)19-7-2-4-11(19)8-18-6-3-5-15-18/h3,5-6,9,11H,2,4,7-8H2,1H3,(H,16,17,20)
InChIKeyWDDKYFUTDQZLMU-UHFFFAOYSA-N
XLogP1.60
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide (CID 56802339) is N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C(=O)N2CCCC2Cn2cccn2)cs1.
What is the InChIKey of N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is WDDKYFUTDQZLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2S/c1-10(20)16-14-17-12(9-22-14)13(21)19-7-2-4-11(19)8-18-6-3-5-15-18/h3,5-6,9,11H,2,4,7-8H2,1H3,(H,16,17,20).
What are the key properties of N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 319.39 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56802339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).