N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide

C11H17N3OS — CID 68501101

IUPACN-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1cnc(N2CCCC2)s1
InChIInChI=1S/C11H17N3OS/c1-2-10(15)12-7-9-8-13-11(16-9)14-5-3-4-6-14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyGRTQISXCKLCPQE-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.77
Rot. Bonds4

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

N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 68501101) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID68501101
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC NameN-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1cnc(N2CCCC2)s1
InChIInChI=1S/C11H17N3OS/c1-2-10(15)12-7-9-8-13-11(16-9)14-5-3-4-6-14/h8H,2-7H2,1H3,(H,12,15)
InChIKeyGRTQISXCKLCPQE-UHFFFAOYSA-N
XLogP1.77
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide (CID 68501101) is N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide is CCC(=O)NCc1cnc(N2CCCC2)s1.
What is the InChIKey of N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is GRTQISXCKLCPQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-10(15)12-7-9-8-13-11(16-9)14-5-3-4-6-14/h8H,2-7H2,1H3,(H,12,15).
What are the key properties of N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide?
N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 239.34 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 68501101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).