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

C13H16N2O2S2 — CID 80569880

IUPAC4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(c2cccs2)C(C)C)sc1C(=O)O
InChIInChI=1S/C13H16N2O2S2/c1-7(2)10(9-5-4-6-18-9)15-13-14-8(3)11(19-13)12(16)17/h4-7,10H,1-3H3,(H,14,15)(H,16,17)
InChIKeyZCNZFKASRFMJLQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP4.02
Rot. Bonds5

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

4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 80569880) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
PubChem CID80569880
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1nc(NC(c2cccs2)C(C)C)sc1C(=O)O
InChIInChI=1S/C13H16N2O2S2/c1-7(2)10(9-5-4-6-18-9)15-13-14-8(3)11(19-13)12(16)17/h4-7,10H,1-3H3,(H,14,15)(H,16,17)
InChIKeyZCNZFKASRFMJLQ-UHFFFAOYSA-N
XLogP4.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-4-carboxylate
CID 115423867
2-[1-(furan-2-yl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570272
2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 106347379
2-[1-(2-chlorophenyl)ethylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569922
2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80569886
4-methyl-N-(2-methyl-1-thiophen-2-ylpropyl)-1,3-benzothiazol-2-amine
CID 79146503
5-[(2-methyl-1-thiophen-2-ylpropyl)amino]furan-2-carboxylic acid
CID 62205503
4-methyl-2-(thiophen-2-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 62502517
2-[1-(4-fluorophenyl)propan-2-ylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570034
4-methyl-2-(3-methylbutanoylamino)-1,3-thiazole-5-carboxylic acid
CID 28803672
N-(2-methyl-1-thiophen-2-ylpropyl)hydroxylamine
CID 82685515
2-(hexan-2-ylamino)-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570104

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid (CID 80569880) is 4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid is Cc1nc(NC(c2cccs2)C(C)C)sc1C(=O)O.
What is the InChIKey of 4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is ZCNZFKASRFMJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-7(2)10(9-5-4-6-18-9)15-13-14-8(3)11(19-13)12(16)17/h4-7,10H,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid?
4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 296.42 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methyl-1-thiophen-2-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 80569880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).