4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid

C10H10N4O3S2 — CID 107649001

IUPAC4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)Nc2nncs2)c(C(=O)O)c1C
InChIInChI=1S/C10H10N4O3S2/c1-4-5(2)19-7(6(4)8(15)16)12-9(17)13-10-14-11-3-18-10/h3H,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyJNIPPUYVHLXIMV-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.56
Rot. Bonds3

About 4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid

4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid (PubChem CID 107649001) has the molecular formula C10H10N4O3S2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid
PubChem CID107649001
Molecular FormulaC10H10N4O3S2
Molecular Weight298.35 g/mol
Exact Mass298.02
IUPAC Name4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid
SMILESCc1sc(NC(=O)Nc2nncs2)c(C(=O)O)c1C
InChIInChI=1S/C10H10N4O3S2/c1-4-5(2)19-7(6(4)8(15)16)12-9(17)13-10-14-11-3-18-10/h3H,1-2H3,(H,15,16)(H2,12,13,14,17)
InChIKeyJNIPPUYVHLXIMV-UHFFFAOYSA-N
XLogP2.56
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-2-(methylcarbamoylamino)thiophene-3-carboxylic acid
CID 55219459
4,5-dimethyl-2-(1,2-oxazol-3-ylcarbamoylamino)thiophene-3-carboxylic acid
CID 63114615
4,5-dimethyl-2-[(3-methyl-4-pyridinyl)carbamoylamino]thiophene-3-carboxylic acid
CID 63672230
2-methyl-3-(1,3,4-thiadiazol-2-ylcarbamoylamino)benzoic acid
CID 62948243
(2R)-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)propanoic acid
CID 78972625
2-[(1-carboxy-2-methylpropyl)carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114793
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 107854026
(2S)-3,3-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)butanoic acid
CID 61193385
4,5-dimethyl-2-[(4-methylthiophene-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 79802404
4,5-dimethyl-2-[(2-methylbenzoyl)amino]thiophene-3-carboxylic acid
CID 950144
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4,5-dimethylthiophene-3-carboxylic acid
CID 63114088
4,5-dimethyl-2-(pyridazine-4-carbonylamino)thiophene-3-carboxylic acid
CID 104669364

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The IUPAC name of 4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid (CID 107649001) is 4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid.
What is the SMILES notation for 4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The canonical SMILES for 4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid is Cc1sc(NC(=O)Nc2nncs2)c(C(=O)O)c1C.
What is the InChIKey of 4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
The InChIKey is JNIPPUYVHLXIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3S2/c1-4-5(2)19-7(6(4)8(15)16)12-9(17)13-10-14-11-3-18-10/h3H,1-2H3,(H,15,16)(H2,12,13,14,17).
What are the key properties of 4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid?
4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid has a molecular weight of 298.35 g/mol, XLogP of 2.56, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(1,3,4-thiadiazol-2-ylcarbamoylamino)thiophene-3-carboxylic acid is sourced from PubChem (CID 107649001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).