3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide

C18H24N2OS — CID 110624727

IUPAC3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NCCc2cscn2)cc1
InChIInChI=1S/C18H24N2OS/c1-18(2,3)15-7-4-14(5-8-15)6-9-17(21)19-11-10-16-12-22-13-20-16/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,19,21)
InChIKeyKPZCDBXQHJYBER-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.73
Rot. Bonds6

About 3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide

3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide (PubChem CID 110624727) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
PubChem CID110624727
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
SMILESCC(C)(C)c1ccc(CCC(=O)NCCc2cscn2)cc1
InChIInChI=1S/C18H24N2OS/c1-18(2,3)15-7-4-14(5-8-15)6-9-17(21)19-11-10-16-12-22-13-20-16/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,19,21)
InChIKeyKPZCDBXQHJYBER-UHFFFAOYSA-N
XLogP3.73
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)ethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 119501389
3-(4-tert-butylphenyl)-N-[2-(methylamino)ethyl]propanamide
CID 119500998
5-amino-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]pentanamide
CID 82688020
2,2-dimethyl-3-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 119249357
3-(1,3-thiazol-4-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 47080825
5-tert-butyl-N-[2-(1,3-thiazol-4-yl)ethyl]pyridin-2-amine
CID 107874695
3-amino-2,2,3-trimethyl-N-[2-(1,3-thiazol-4-yl)ethyl]butanamide
CID 65266866
N-[2-(4-aminophenyl)ethyl]-2-(1,3-thiazol-4-yl)acetamide
CID 110483325
N-(4-tert-butylphenyl)-2-(1,3-thiazol-4-yl)acetamide
CID 110462979
1-[(2S)-2-benzyl-3-hydroxy-2-methylpropyl]-3-[2-(1,3-thiazol-4-yl)ethyl]urea
CID 124854604
2-[(4-chlorophenyl)methylsulfanyl]-N-[2-(1,3-thiazol-4-yl)ethyl]acetamide
CID 71931922
2-methyl-3-phenyl-2-[3-(1,3-thiazol-4-yl)propanoylamino]propanoic acid
CID 75429105

Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide (CID 110624727) is 3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide is CC(C)(C)c1ccc(CCC(=O)NCCc2cscn2)cc1.
What is the InChIKey of 3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
The InChIKey is KPZCDBXQHJYBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-18(2,3)15-7-4-14(5-8-15)6-9-17(21)19-11-10-16-12-22-13-20-16/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,19,21).
What are the key properties of 3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide?
3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide has a molecular weight of 316.47 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butylphenyl)-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 110624727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).