4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid

C14H15N3O3S — CID 63114283

IUPAC4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)N(C)c2ccccn2)c(C(=O)O)c1C
InChIInChI=1S/C14H15N3O3S/c1-8-9(2)21-12(11(8)13(18)19)16-14(20)17(3)10-6-4-5-7-15-10/h4-7H,1-3H3,(H,16,20)(H,18,19)
InChIKeyQHKBDUNJLSVSTF-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.13
Rot. Bonds3

About 4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid

4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid (PubChem CID 63114283) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid
PubChem CID63114283
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)N(C)c2ccccn2)c(C(=O)O)c1C
InChIInChI=1S/C14H15N3O3S/c1-8-9(2)21-12(11(8)13(18)19)16-14(20)17(3)10-6-4-5-7-15-10/h4-7H,1-3H3,(H,16,20)(H,18,19)
InChIKeyQHKBDUNJLSVSTF-UHFFFAOYSA-N
XLogP3.13
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid (CID 63114283) is 4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid is Cc1sc(NC(=O)N(C)c2ccccn2)c(C(=O)O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid?
The InChIKey is QHKBDUNJLSVSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-8-9(2)21-12(11(8)13(18)19)16-14(20)17(3)10-6-4-5-7-15-10/h4-7H,1-3H3,(H,16,20)(H,18,19).
What are the key properties of 4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid?
4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[methyl(pyridin-2-yl)carbamoyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63114283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).