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

C13H16N2O2S — CID 110484643

IUPAC2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(C)c1csc(CNC(=O)Cc2ccco2)n1
InChIInChI=1S/C13H16N2O2S/c1-9(2)11-8-18-13(15-11)7-14-12(16)6-10-4-3-5-17-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,16)
InChIKeyITPVNLQUYSGUIS-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.72
Rot. Bonds5

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

2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide (PubChem CID 110484643) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is 2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
PubChem CID110484643
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
SMILESCC(C)c1csc(CNC(=O)Cc2ccco2)n1
InChIInChI=1S/C13H16N2O2S/c1-9(2)11-8-18-13(15-11)7-14-12(16)6-10-4-3-5-17-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,16)
InChIKeyITPVNLQUYSGUIS-UHFFFAOYSA-N
XLogP2.72
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(furan-2-yl)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 110484612
2-(furan-2-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]acetamide
CID 110484644
2-(aminomethyl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 82546128
2-amino-2-phenyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide;dihydrochloride
CID 119897370
2-benzyl-1-[2-(furan-2-yl)ethyl]-3-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]guanidine
CID 110060128
4-(methylamino)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]butanamide
CID 119897377
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
3,5-dimethyl-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]-1,2-oxazole-4-carboxamide
CID 139007746
N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
CID 54914183
2-(2-methoxyphenoxy)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 110443308
2-(furan-2-yl)-N-[(2-methylphenyl)methyl]acetamide
CID 110690604
3-acetamido-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110439900

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide (CID 110484643) is 2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide is CC(C)c1csc(CNC(=O)Cc2ccco2)n1.
What is the InChIKey of 2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
The InChIKey is ITPVNLQUYSGUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(2)11-8-18-13(15-11)7-14-12(16)6-10-4-3-5-17-10/h3-5,8-9H,6-7H2,1-2H3,(H,14,16).
What are the key properties of 2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide?
2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide has a molecular weight of 264.35 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-N-[(4-propan-2-yl-1,3-thiazol-2-yl)methyl]acetamide is sourced from PubChem (CID 110484643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).