4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid

C18H22N2O3S — CID 6464387

IUPAC4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
SMILESCc1sc(NC(=O)CCC(=O)O)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O3S/c1-11-16(12-5-7-13(8-6-12)18(2,3)4)20-17(24-11)19-14(21)9-10-15(22)23/h5-8H,9-10H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyFNOYGYAVCPKPBH-UHFFFAOYSA-N
MW346.45 g/mol
LogP4.22
Rot. Bonds5

About 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid

4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid (PubChem CID 6464387) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
PubChem CID6464387
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
SMILESCc1sc(NC(=O)CCC(=O)O)nc1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H22N2O3S/c1-11-16(12-5-7-13(8-6-12)18(2,3)4)20-17(24-11)19-14(21)9-10-15(22)23/h5-8H,9-10H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyFNOYGYAVCPKPBH-UHFFFAOYSA-N
XLogP4.22
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

4-[[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid
CID 3431018
N,N'-bis(5-methyl-4-phenyl-1,3-thiazol-2-yl)butanediamide
CID 3493678
4-tert-butyl-N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]benzamide
CID 1185902
2-(4-tert-butylphenoxy)-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]acetamide
CID 19217804
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]pentanamide
CID 19172938
4-tert-butyl-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]benzamide
CID 1315978
3-chloro-N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 19226381
N-[3-[[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-2,2-dimethylpropanamide
CID 18155141
N-[5-methyl-4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
CID 19183929
N-[4-(4-fluorophenyl)-5-methyl-1,3-thiazol-2-yl]pentanamide
CID 19210425
4-(4-tert-butylphenyl)-N-[4-(4-methylphenyl)-5-propyl-1,3-thiazol-2-yl]-4-oxobutanamide
CID 11840384
3-(4-methoxyphenoxy)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 2388192

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid (CID 6464387) is 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid is Cc1sc(NC(=O)CCC(=O)O)nc1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
The InChIKey is FNOYGYAVCPKPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-11-16(12-5-7-13(8-6-12)18(2,3)4)20-17(24-11)19-14(21)9-10-15(22)23/h5-8H,9-10H2,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid?
4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid has a molecular weight of 346.45 g/mol, XLogP of 4.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(4-tert-butylphenyl)-5-methyl-1,3-thiazol-2-yl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 6464387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).