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

C10H15N3OS — CID 175744244

IUPAC2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1ncc(CN2CCCC2)s1
InChIInChI=1S/C10H15N3OS/c11-9(14)5-10-12-6-8(15-10)7-13-3-1-2-4-13/h6H,1-5,7H2,(H2,11,14)
InChIKeyXQFYLNRKOGKGKA-UHFFFAOYSA-N
MW225.32 g/mol
LogP0.77
Rot. Bonds4

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

2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 175744244) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
PubChem CID175744244
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide
SMILESNC(=O)Cc1ncc(CN2CCCC2)s1
InChIInChI=1S/C10H15N3OS/c11-9(14)5-10-12-6-8(15-10)7-13-3-1-2-4-13/h6H,1-5,7H2,(H2,11,14)
InChIKeyXQFYLNRKOGKGKA-UHFFFAOYSA-N
XLogP0.77
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide (CID 175744244) is 2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is NC(=O)Cc1ncc(CN2CCCC2)s1.
What is the InChIKey of 2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is XQFYLNRKOGKGKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c11-9(14)5-10-12-6-8(15-10)7-13-3-1-2-4-13/h6H,1-5,7H2,(H2,11,14).
What are the key properties of 2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide?
2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 225.32 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 175744244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).