4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide

C17H21N3O2S — CID 8762604

IUPAC4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-17(2,3)13-6-4-12(5-7-13)15(22)18-9-8-14(21)20-16-19-10-11-23-16/h4-7,10-11H,8-9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyJUGQKLQAFULSHR-UHFFFAOYSA-N
MW331.44 g/mol
LogP3.20
Rot. Bonds5

About 4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide

4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide (PubChem CID 8762604) has the molecular formula C17H21N3O2S and a molecular weight of 331.44 g/mol. Its IUPAC name is 4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
PubChem CID8762604
Molecular FormulaC17H21N3O2S
Molecular Weight331.44 g/mol
Exact Mass331.14
IUPAC Name4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2nccs2)cc1
InChIInChI=1S/C17H21N3O2S/c1-17(2,3)13-6-4-12(5-7-13)15(22)18-9-8-14(21)20-16-19-10-11-23-16/h4-7,10-11H,8-9H2,1-3H3,(H,18,22)(H,19,20,21)
InChIKeyJUGQKLQAFULSHR-UHFFFAOYSA-N
XLogP3.20
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-tert-butylphenyl)-N-(1,3-thiazol-2-yl)propanamide
CID 19221204
4-fluoro-N-[4-oxo-4-(1,3-thiazol-2-ylamino)butyl]benzamide
CID 60573098
3-acetamido-N-(1,3-thiazol-2-yl)propanamide
CID 2552425
4-tert-butyl-N-[3-[(5-butyl-1,3,4-thiadiazol-2-yl)amino]-3-oxopropyl]benzamide
CID 22830189
2-[(4-tert-butylphenyl)methyl-methylamino]-N-(1,3-thiazol-2-yl)acetamide
CID 18134032
4-(4-methylphenyl)-4-oxo-N-(1,3-thiazol-2-yl)butanamide
CID 23849935
4-chloro-N-[3-oxo-3-[4-(1,3-thiazol-2-ylsulfamoyl)anilino]propyl]benzamide
CID 26289110
ethyl 2-[3-[(4-tert-butylbenzoyl)amino]propanoylamino]-4-methyl-1,3-thiazole-5-carboxylate
CID 55343953
N,N'-bis(1,3-thiazol-2-yl)decanediamide
CID 17080102
4-(2-bromo-4-tert-butylphenoxy)-N-(1,3-thiazol-2-yl)butanamide
CID 19202115
4-tert-butyl-N-[[4-(4-ethoxyphenyl)-5-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
CID 3518548
4-oxo-4-[4-(1,3-thiazol-2-ylcarbamoyl)anilino]butanoic acid
CID 774064

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide?
The IUPAC name of 4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide (CID 8762604) is 4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide is CC(C)(C)c1ccc(C(=O)NCCC(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide?
The InChIKey is JUGQKLQAFULSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2S/c1-17(2,3)13-6-4-12(5-7-13)15(22)18-9-8-14(21)20-16-19-10-11-23-16/h4-7,10-11H,8-9H2,1-3H3,(H,18,22)(H,19,20,21).
What are the key properties of 4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide?
4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide has a molecular weight of 331.44 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]benzamide is sourced from PubChem (CID 8762604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).