N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

C13H17N3O2S — CID 10826541

IUPACN-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(CN(C)C)n2)o1
InChIInChI=1S/C13H17N3O2S/c1-9(17)14-6-10-4-5-12(18-10)11-8-19-13(15-11)7-16(2)3/h4-5,8H,6-7H2,1-3H3,(H,14,17)
InChIKeyLEFIRMDOOZWPHG-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.10
Rot. Bonds5

About N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide

N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (PubChem CID 10826541) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
PubChem CID10826541
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc(-c2csc(CN(C)C)n2)o1
InChIInChI=1S/C13H17N3O2S/c1-9(17)14-6-10-4-5-12(18-10)11-8-19-13(15-11)7-16(2)3/h4-5,8H,6-7H2,1-3H3,(H,14,17)
InChIKeyLEFIRMDOOZWPHG-UHFFFAOYSA-N
XLogP2.10
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The IUPAC name of N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide (CID 10826541) is N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The canonical SMILES for N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is CC(=O)NCc1ccc(-c2csc(CN(C)C)n2)o1.
What is the InChIKey of N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
The InChIKey is LEFIRMDOOZWPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-9(17)14-6-10-4-5-12(18-10)11-8-19-13(15-11)7-16(2)3/h4-5,8H,6-7H2,1-3H3,(H,14,17).
What are the key properties of N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide?
N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide has a molecular weight of 279.37 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[2-[(dimethylamino)methyl]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide is sourced from PubChem (CID 10826541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).