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

C14H19N5OS — CID 56780497

IUPAC2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cnn(CC2CCCN2CC(=O)Nc2nccs2)c1
InChIInChI=1S/C14H19N5OS/c1-11-7-16-19(8-11)9-12-3-2-5-18(12)10-13(20)17-14-15-4-6-21-14/h4,6-8,12H,2-3,5,9-10H2,1H3,(H,15,17,20)
InChIKeyCZIYPAMPOCXPJZ-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.75
Rot. Bonds5

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

2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 56780497) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID56780497
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cnn(CC2CCCN2CC(=O)Nc2nccs2)c1
InChIInChI=1S/C14H19N5OS/c1-11-7-16-19(8-11)9-12-3-2-5-18(12)10-13(20)17-14-15-4-6-21-14/h4,6-8,12H,2-3,5,9-10H2,1H3,(H,15,17,20)
InChIKeyCZIYPAMPOCXPJZ-UHFFFAOYSA-N
XLogP1.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide (CID 56780497) is 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is Cc1cnn(CC2CCCN2CC(=O)Nc2nccs2)c1.
What is the InChIKey of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is CZIYPAMPOCXPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-11-7-16-19(8-11)9-12-3-2-5-18(12)10-13(20)17-14-15-4-6-21-14/h4,6-8,12H,2-3,5,9-10H2,1H3,(H,15,17,20).
What are the key properties of 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide?
2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 305.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 56780497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).