5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid

C14H16N2O3S2 — CID 106697870

IUPAC5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(N(C)C(C)Cc2cccs2)nc1C(=O)O
InChIInChI=1S/C14H16N2O3S2/c1-8(7-10-5-4-6-20-10)16(3)14-15-11(13(18)19)12(21-14)9(2)17/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyTZDKGPDLVKRUMP-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.17
Rot. Bonds6

About 5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid

5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid (PubChem CID 106697870) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is 5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid.

Molecular Properties

Compound Name5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
PubChem CID106697870
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
SMILESCC(=O)c1sc(N(C)C(C)Cc2cccs2)nc1C(=O)O
InChIInChI=1S/C14H16N2O3S2/c1-8(7-10-5-4-6-20-10)16(3)14-15-11(13(18)19)12(21-14)9(2)17/h4-6,8H,7H2,1-3H3,(H,18,19)
InChIKeyTZDKGPDLVKRUMP-UHFFFAOYSA-N
XLogP3.17
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-methyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-5-carboxylate
CID 80570582
3-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyrazine-2-carboxylic acid
CID 79487177
5-acetyl-2-[methyl(3-methylbutan-2-yl)amino]-1,3-thiazole-4-carboxylic acid
CID 106697062
2-chloro-1-[2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazol-4-yl]ethanone
CID 113392242
5-(aminomethyl)-4-ethyl-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazol-2-amine
CID 79494190
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-4-ol
CID 79494106
5-acetyl-2-(4-methoxy-N-methylanilino)-1,3-thiazole-4-carboxylic acid
CID 106697276
3-amino-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]benzoic acid
CID 115935277
5-methyl-6-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-3-carboxylic acid
CID 80631787
4-[methyl(1-thiophen-2-ylpropan-2-yl)carbamoyl]benzoic acid
CID 79488943
1-[3-chloro-4-[methyl(1-thiophen-2-ylpropan-2-yl)amino]phenyl]ethanone
CID 79476527
4-amino-2-(ethylamino)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116671287

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid?
The IUPAC name of 5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid (CID 106697870) is 5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid.
What is the SMILES notation for 5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid?
The canonical SMILES for 5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid is CC(=O)c1sc(N(C)C(C)Cc2cccs2)nc1C(=O)O.
What is the InChIKey of 5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid?
The InChIKey is TZDKGPDLVKRUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-8(7-10-5-4-6-20-10)16(3)14-15-11(13(18)19)12(21-14)9(2)17/h4-6,8H,7H2,1-3H3,(H,18,19).
What are the key properties of 5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid?
5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid has a molecular weight of 324.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]-1,3-thiazole-4-carboxylic acid is sourced from PubChem (CID 106697870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).