N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C13H16N2O2S — CID 47056486

IUPACN-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)NCc2ccoc2)cs1
InChIInChI=1S/C13H16N2O2S/c1-9(2)13-15-11(8-18-13)5-12(16)14-6-10-3-4-17-7-10/h3-4,7-9H,5-6H2,1-2H3,(H,14,16)
InChIKeyFJUULMJPYNDVRA-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.72
Rot. Bonds5

About N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 47056486) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID47056486
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC NameN-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)NCc2ccoc2)cs1
InChIInChI=1S/C13H16N2O2S/c1-9(2)13-15-11(8-18-13)5-12(16)14-6-10-3-4-17-7-10/h3-4,7-9H,5-6H2,1-2H3,(H,14,16)
InChIKeyFJUULMJPYNDVRA-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

N-[(4-tert-butylphenyl)methyl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 90758793
N-ethyl-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 91286036
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
N-(2-ethyl-2-hydroxybutyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 111463295
2-(3-methoxyphenyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 110728108
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 82547706
2-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 119066175
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
N-(furan-3-ylmethyl)-2-thiophen-2-ylacetamide
CID 47350839
N-(1-hydroxypropan-2-yl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
CID 110890212

Frequently Asked Questions

What is the IUPAC name of N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 47056486) is N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)c1nc(CC(=O)NCc2ccoc2)cs1.
What is the InChIKey of N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is FJUULMJPYNDVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-9(2)13-15-11(8-18-13)5-12(16)14-6-10-3-4-17-7-10/h3-4,7-9H,5-6H2,1-2H3,(H,14,16).
What are the key properties of N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)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 N-(furan-3-ylmethyl)-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 47056486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).