3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

C20H22N2O2S — CID 56558109

IUPAC3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)c1nc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cs1
InChIInChI=1S/C20H22N2O2S/c1-14(2)20-22-16(13-25-20)12-21-19(23)11-9-17-8-10-18(24-17)15-6-4-3-5-7-15/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,21,23)
InChIKeyLDOULDCTYNCYJP-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.78
Rot. Bonds7

About 3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide

3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (PubChem CID 56558109) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
PubChem CID56558109
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
SMILESCC(C)c1nc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cs1
InChIInChI=1S/C20H22N2O2S/c1-14(2)20-22-16(13-25-20)12-21-19(23)11-9-17-8-10-18(24-17)15-6-4-3-5-7-15/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,21,23)
InChIKeyLDOULDCTYNCYJP-UHFFFAOYSA-N
XLogP4.78
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
3-(5-phenylfuran-2-yl)-N-(2-phenylpropyl)propanamide
CID 42907748
N-tert-butyl-3-(5-phenylfuran-2-yl)propanamide
CID 51149871
N-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]-3-(5-phenylfuran-2-yl)propanamide
CID 17465652
3-methyl-5-phenyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]pentanamide
CID 56557744
N-(4-hydroxy-2,2-dimethylpentyl)-3-(5-phenylfuran-2-yl)propanamide
CID 111480285
3-(4-methyl-1,2,4-triazol-3-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 118764161
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]nonanamide
CID 56558069
3-(5-phenylfuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 9483404
2-(2-methoxyphenoxy)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 110728083
2-(2-fluorophenoxy)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 110728111

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The IUPAC name of 3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide (CID 56558109) is 3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is CC(C)c1nc(CNC(=O)CCc2ccc(-c3ccccc3)o2)cs1.
What is the InChIKey of 3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
The InChIKey is LDOULDCTYNCYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-14(2)20-22-16(13-25-20)12-21-19(23)11-9-17-8-10-18(24-17)15-6-4-3-5-7-15/h3-8,10,13-14H,9,11-12H2,1-2H3,(H,21,23).
What are the key properties of 3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide?
3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide has a molecular weight of 354.48 g/mol, XLogP of 4.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylfuran-2-yl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propanamide is sourced from PubChem (CID 56558109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).