2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide

C14H19N3O2S — CID 47294325

IUPAC2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(CN(CC(=O)Nc2nccs2)C(C)C)o1
InChIInChI=1S/C14H19N3O2S/c1-10(2)17(8-12-5-4-11(3)19-12)9-13(18)16-14-15-6-7-20-14/h4-7,10H,8-9H2,1-3H3,(H,15,16,18)
InChIKeyBNNHWGAWSVZUKP-UHFFFAOYSA-N
MW293.39 g/mol
LogP2.89
Rot. Bonds6

About 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide

2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 47294325) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide
PubChem CID47294325
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1ccc(CN(CC(=O)Nc2nccs2)C(C)C)o1
InChIInChI=1S/C14H19N3O2S/c1-10(2)17(8-12-5-4-11(3)19-12)9-13(18)16-14-15-6-7-20-14/h4-7,10H,8-9H2,1-3H3,(H,15,16,18)
InChIKeyBNNHWGAWSVZUKP-UHFFFAOYSA-N
XLogP2.89
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[furan-2-ylmethyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134048
ethyl 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]acetate
CID 60965797
2-[methyl-[(4-methylphenyl)methyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134036
2-[acetyl(2-methylpropyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 813261
methyl 2-[methyl-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]amino]acetate
CID 60698118
2-[benzyl(methyl)amino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134023
2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-(1,3-thiazol-2-yl)acetamide
CID 47123380
1-benzyl-1-propan-2-yl-3-(1,3-thiazol-2-yl)urea
CID 47363759
[(1R)-1-(1,3-thiazol-2-yl)ethyl] 2-(5-methylfuran-2-yl)acetate
CID 97246914
2-(butan-2-ylamino)-N-(1,3-thiazol-2-yl)acetamide
CID 42768343
4-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]butanoic acid
CID 60833315
2-(4-propan-2-ylphenoxy)-N-(1,3-thiazol-2-yl)acetamide
CID 723522

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide (CID 47294325) is 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide is Cc1ccc(CN(CC(=O)Nc2nccs2)C(C)C)o1.
What is the InChIKey of 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is BNNHWGAWSVZUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-10(2)17(8-12-5-4-11(3)19-12)9-13(18)16-14-15-6-7-20-14/h4-7,10H,8-9H2,1-3H3,(H,15,16,18).
What are the key properties of 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide?
2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 293.39 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methylfuran-2-yl)methyl-propan-2-ylamino]-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 47294325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).