4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid

C14H15N3O3S — CID 63672230

IUPAC4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCc1cnccc1NC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C14H15N3O3S/c1-7-6-15-5-4-10(7)16-14(20)17-12-11(13(18)19)8(2)9(3)21-12/h4-6H,1-3H3,(H,18,19)(H2,15,16,17,20)
InChIKeyQGDOSONTPPERQX-UHFFFAOYSA-N
MW305.36 g/mol
LogP3.41
Rot. Bonds3

About 4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid

4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid (PubChem CID 63672230) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid
PubChem CID63672230
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid
SMILESCc1cnccc1NC(=O)Nc1sc(C)c(C)c1C(=O)O
InChIInChI=1S/C14H15N3O3S/c1-7-6-15-5-4-10(7)16-14(20)17-12-11(13(18)19)8(2)9(3)21-12/h4-6H,1-3H3,(H,18,19)(H2,15,16,17,20)
InChIKeyQGDOSONTPPERQX-UHFFFAOYSA-N
XLogP3.41
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid (CID 63672230) is 4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid is Cc1cnccc1NC(=O)Nc1sc(C)c(C)c1C(=O)O.
What is the InChIKey of 4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid?
The InChIKey is QGDOSONTPPERQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c1-7-6-15-5-4-10(7)16-14(20)17-12-11(13(18)19)8(2)9(3)21-12/h4-6H,1-3H3,(H,18,19)(H2,15,16,17,20).
What are the key properties of 4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid?
4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid has a molecular weight of 305.36 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid is sourced from PubChem (CID 63672230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).