N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide

C17H24N2O2S — CID 110308157

IUPACN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide
SMILESCc1nc(C(CC(C)C)NC(=O)CCc2ccco2)sc1C
InChIInChI=1S/C17H24N2O2S/c1-11(2)10-15(17-18-12(3)13(4)22-17)19-16(20)8-7-14-6-5-9-21-14/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,19,20)
InChIKeyUJLKNLBCSIWCNL-UHFFFAOYSA-N
MW320.46 g/mol
LogP4.19
Rot. Bonds7

About N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide (PubChem CID 110308157) has the molecular formula C17H24N2O2S and a molecular weight of 320.46 g/mol. Its IUPAC name is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide.

Molecular Properties

Compound NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide
PubChem CID110308157
Molecular FormulaC17H24N2O2S
Molecular Weight320.46 g/mol
Exact Mass320.16
IUPAC NameN-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide
SMILESCc1nc(C(CC(C)C)NC(=O)CCc2ccco2)sc1C
InChIInChI=1S/C17H24N2O2S/c1-11(2)10-15(17-18-12(3)13(4)22-17)19-16(20)8-7-14-6-5-9-21-14/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,19,20)
InChIKeyUJLKNLBCSIWCNL-UHFFFAOYSA-N
XLogP4.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110628703
1-butan-2-yl-3-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]urea
CID 110628697
3-(furan-2-yl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 18863031
2-[3-(furan-2-yl)propanoylamino]-3-methylbutanoic acid
CID 43183392
3-(furan-2-yl)-N-[(1S)-1-pyridin-4-ylethyl]propanamide
CID 34761975
3-(furan-2-yl)-N-(1-thiophen-2-ylethyl)propanamide
CID 43005308
1-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-[2-(2-methoxyphenyl)ethyl]urea
CID 110628698
N-[(1S)-1-(4,5-dimethyl-1,3-thiazol-2-yl)-2-thiophen-3-ylethyl]-3-(1,2-oxazol-5-yl)propanamide
CID 92597569
2-[3-(furan-2-yl)propanoylamino]-N,N-dimethylpropanamide
CID 47035846
3-(furan-2-yl)-N-(1-hydroxy-4-methylpentan-3-yl)propanamide
CID 103750763
ethyl N-[(2S)-1-[3-(furan-2-yl)propanoylamino]-4-methylpentan-2-yl]carbamate
CID 38924524
N-[4-[1-(ethylamino)ethyl]-1,3-thiazol-2-yl]-3-(furan-2-yl)propanamide
CID 64555491

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide?
The IUPAC name of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide (CID 110308157) is N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide.
What is the SMILES notation for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide?
The canonical SMILES for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide is Cc1nc(C(CC(C)C)NC(=O)CCc2ccco2)sc1C.
What is the InChIKey of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide?
The InChIKey is UJLKNLBCSIWCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2S/c1-11(2)10-15(17-18-12(3)13(4)22-17)19-16(20)8-7-14-6-5-9-21-14/h5-6,9,11,15H,7-8,10H2,1-4H3,(H,19,20).
What are the key properties of N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide?
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide has a molecular weight of 320.46 g/mol, XLogP of 4.19, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-methylbutyl]-3-(furan-2-yl)propanamide is sourced from PubChem (CID 110308157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).