N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

C14H19N5OS — CID 56825323

IUPACN-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCCC2c2cnn(C)c2)cs1
InChIInChI=1S/C14H19N5OS/c1-10(20)16-14-17-12(9-21-14)8-19-5-3-4-13(19)11-6-15-18(2)7-11/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,17,20)
InChIKeyGAHRFFJZZUSUMF-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.17
Rot. Bonds4

About N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide

N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 56825323) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
PubChem CID56825323
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC NameN-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(CN2CCCC2c2cnn(C)c2)cs1
InChIInChI=1S/C14H19N5OS/c1-10(20)16-14-17-12(9-21-14)8-19-5-3-4-13(19)11-6-15-18(2)7-11/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,17,20)
InChIKeyGAHRFFJZZUSUMF-UHFFFAOYSA-N
XLogP2.17
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide (CID 56825323) is N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(CN2CCCC2c2cnn(C)c2)cs1.
What is the InChIKey of N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is GAHRFFJZZUSUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-10(20)16-14-17-12(9-21-14)8-19-5-3-4-13(19)11-6-15-18(2)7-11/h6-7,9,13H,3-5,8H2,1-2H3,(H,16,17,20).
What are the key properties of N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide?
N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 305.41 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 56825323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).