N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C11H12N2OS2 — CID 2738814

IUPACN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCCC(=O)NCc1csc(-c2cccs2)n1
InChIInChI=1S/C11H12N2OS2/c1-2-10(14)12-6-8-7-16-11(13-8)9-4-3-5-15-9/h3-5,7H,2,6H2,1H3,(H,12,14)
InChIKeyIEZAFYITDHKIGX-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.90
Rot. Bonds4

About N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide

N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 2738814) has the molecular formula C11H12N2OS2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID2738814
Molecular FormulaC11H12N2OS2
Molecular Weight252.36 g/mol
Exact Mass252.04
IUPAC NameN-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCCC(=O)NCc1csc(-c2cccs2)n1
InChIInChI=1S/C11H12N2OS2/c1-2-10(14)12-6-8-7-16-11(13-8)9-4-3-5-15-9/h3-5,7H,2,6H2,1H3,(H,12,14)
InChIKeyIEZAFYITDHKIGX-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 2738814) is N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide is CCC(=O)NCc1csc(-c2cccs2)n1.
What is the InChIKey of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is IEZAFYITDHKIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS2/c1-2-10(14)12-6-8-7-16-11(13-8)9-4-3-5-15-9/h3-5,7H,2,6H2,1H3,(H,12,14).
What are the key properties of N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 252.36 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-thiophen-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 2738814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).