propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate

C13H20N2O3S — CID 64975274

IUPACpropan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
SMILESCc1c(C(=O)NC(C)C)sc(N)c1C(=O)OC(C)C
InChIInChI=1S/C13H20N2O3S/c1-6(2)15-12(16)10-8(5)9(11(14)19-10)13(17)18-7(3)4/h6-7H,14H2,1-5H3,(H,15,16)
InChIKeyFVLHGVNVZRDCOX-UHFFFAOYSA-N
MW284.38 g/mol
LogP2.34
Rot. Bonds4

About propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate

propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate (PubChem CID 64975274) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
PubChem CID64975274
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC Namepropan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate
SMILESCc1c(C(=O)NC(C)C)sc(N)c1C(=O)OC(C)C
InChIInChI=1S/C13H20N2O3S/c1-6(2)15-12(16)10-8(5)9(11(14)19-10)13(17)18-7(3)4/h6-7H,14H2,1-5H3,(H,15,16)
InChIKeyFVLHGVNVZRDCOX-UHFFFAOYSA-N
XLogP2.34
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Aa(45)', 'substructure': 'N/A'}

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Related Compounds

5-amino-4-(2,2-dimethylpropanoyl)-3-methyl-N-propan-2-ylthiophene-2-carboxamide
CID 65355092
propan-2-yl 2-amino-4-methyl-5-[(2-methylphenyl)carbamoyl]thiophene-3-carboxylate
CID 3680511
5-amino-2-N-ethyl-3-methyl-4-N-propan-2-ylthiophene-2,4-dicarboxamide
CID 64975393
ethyl 2-amino-4-methyl-5-[[(1R)-1-phenylethyl]carbamoyl]thiophene-3-carboxylate
CID 2233010
propan-2-yl 4-carbamoyl-3-methyl-5-(methylamino)thiophene-2-carboxylate
CID 143196362
2-O-methyl 4-O-(2-methylpropyl) 5-amino-3-methylthiophene-2,4-dicarboxylate
CID 82056752
propan-2-yl 5-carbamoyl-2-[(3,5-dimethoxybenzoyl)amino]-4-methylthiophene-3-carboxylate
CID 1225232
methyl 4-acetyl-5-amino-3-methylthiophene-2-carboxylate
CID 65354883
5-amino-N,3-dimethyl-4-(pyrrolidine-1-carbonyl)thiophene-2-carboxamide
CID 64975435
dipropan-2-yl 5-[(4-methoxybenzoyl)amino]-3-methylthiophene-2,4-dicarboxylate
CID 1358488
5-amino-N-cyclopropyl-3-methyl-4-(2-methylpropanoyl)thiophene-2-carboxamide
CID 65355341
propan-2-yl 2-benzamido-5-carbamoyl-4-methylthiophene-3-carboxylate
CID 841124

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate?
The IUPAC name of propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate (CID 64975274) is propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate?
The canonical SMILES for propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate is Cc1c(C(=O)NC(C)C)sc(N)c1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate?
The InChIKey is FVLHGVNVZRDCOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-6(2)15-12(16)10-8(5)9(11(14)19-10)13(17)18-7(3)4/h6-7H,14H2,1-5H3,(H,15,16).
What are the key properties of propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate?
propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate has a molecular weight of 284.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-amino-4-methyl-5-(propan-2-ylcarbamoyl)thiophene-3-carboxylate is sourced from PubChem (CID 64975274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).