5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid

C10H13NO4S — CID 63616841

IUPAC5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)OC(C)C)s1
InChIInChI=1S/C10H13NO4S/c1-5(2)15-10(14)11-8-7(9(12)13)4-6(3)16-8/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKeyTYRHUEVZLUWYGX-UHFFFAOYSA-N
MW243.28 g/mol
LogP2.71
Rot. Bonds3

About 5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid

5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid (PubChem CID 63616841) has the molecular formula C10H13NO4S and a molecular weight of 243.28 g/mol. Its IUPAC name is 5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid
PubChem CID63616841
Molecular FormulaC10H13NO4S
Molecular Weight243.28 g/mol
Exact Mass243.06
IUPAC Name5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid
SMILESCc1cc(C(=O)O)c(NC(=O)OC(C)C)s1
InChIInChI=1S/C10H13NO4S/c1-5(2)15-10(14)11-8-7(9(12)13)4-6(3)16-8/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKeyTYRHUEVZLUWYGX-UHFFFAOYSA-N
XLogP2.71
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methoxycarbonylamino)-5-methylthiophene-3-carboxylic acid
CID 63617172
5-methyl-2-(phenoxycarbonylamino)thiophene-3-carboxylic acid
CID 63617001
2-(carbamoylamino)-5-methylthiophene-3-carboxylic acid
CID 63617341
5-methyl-2-(2-phenoxypropanoylamino)thiophene-3-carboxylic acid
CID 63616153
2-[[6-[(3-carboxy-5-methylthiophen-2-yl)amino]-6-oxohexanoyl]amino]-5-methylthiophene-3-carboxylic acid
CID 24859424
2-[(2,6-dihydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 107688003
2-[(2-hydroxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55247796
2-[(4-methoxybenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 760013
2-[(3,4-dimethylbenzoyl)amino]-5-methylthiophene-3-carboxylic acid
CID 28858667
5-methyl-2-[(5-methylfuran-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 114818997
2-[(6-chloropyridine-2-carbonyl)amino]-5-methylthiophene-3-carboxylic acid
CID 55249925
5-methyl-2-[(2-oxo-1,3-dihydroimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 63615815

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid?
The IUPAC name of 5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid (CID 63616841) is 5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid is Cc1cc(C(=O)O)c(NC(=O)OC(C)C)s1.
What is the InChIKey of 5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid?
The InChIKey is TYRHUEVZLUWYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S/c1-5(2)15-10(14)11-8-7(9(12)13)4-6(3)16-8/h4-5H,1-3H3,(H,11,14)(H,12,13).
What are the key properties of 5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid?
5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid has a molecular weight of 243.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(propan-2-yloxycarbonylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 63616841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).