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

C8H12N2OS — CID 61224770

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1cnc(C)s1
InChIInChI=1S/C8H12N2OS/c1-3-8(11)10-5-7-4-9-6(2)12-7/h4H,3,5H2,1-2H3,(H,10,11)
InChIKeyGXVQITNPBXPJFO-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.48
Rot. Bonds3

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

N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (PubChem CID 61224770) has the molecular formula C8H12N2OS and a molecular weight of 184.26 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
PubChem CID61224770
Molecular FormulaC8H12N2OS
Molecular Weight184.26 g/mol
Exact Mass184.07
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
SMILESCCC(=O)NCc1cnc(C)s1
InChIInChI=1S/C8H12N2OS/c1-3-8(11)10-5-7-4-9-6(2)12-7/h4H,3,5H2,1-2H3,(H,10,11)
InChIKeyGXVQITNPBXPJFO-UHFFFAOYSA-N
XLogP1.48
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide (CID 61224770) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is CCC(=O)NCc1cnc(C)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
The InChIKey is GXVQITNPBXPJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2OS/c1-3-8(11)10-5-7-4-9-6(2)12-7/h4H,3,5H2,1-2H3,(H,10,11).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide has a molecular weight of 184.26 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide is sourced from PubChem (CID 61224770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).