2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid

C11H14N6O3S — CID 107642482

IUPAC2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCCc1nnc(NC(=O)NC(C(=O)O)c2cnn(C)c2)s1
InChIInChI=1S/C11H14N6O3S/c1-3-7-15-16-11(21-7)14-10(20)13-8(9(18)19)6-4-12-17(2)5-6/h4-5,8H,3H2,1-2H3,(H,18,19)(H2,13,14,16,20)
InChIKeyFJCBCBVNEQOHLA-UHFFFAOYSA-N
MW310.34 g/mol
LogP0.78
Rot. Bonds5

About 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid

2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid (PubChem CID 107642482) has the molecular formula C11H14N6O3S and a molecular weight of 310.34 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
PubChem CID107642482
Molecular FormulaC11H14N6O3S
Molecular Weight310.34 g/mol
Exact Mass310.08
IUPAC Name2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
SMILESCCc1nnc(NC(=O)NC(C(=O)O)c2cnn(C)c2)s1
InChIInChI=1S/C11H14N6O3S/c1-3-7-15-16-11(21-7)14-10(20)13-8(9(18)19)6-4-12-17(2)5-6/h4-5,8H,3H2,1-2H3,(H,18,19)(H2,13,14,16,20)
InChIKeyFJCBCBVNEQOHLA-UHFFFAOYSA-N
XLogP0.78
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid with MolForge

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Related Compounds

2-(butan-2-ylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279679
2-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-4-yl)methylcarbamoylamino]acetic acid
CID 115289250
2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid
CID 115288428
2-[(1-methoxy-1-oxopropan-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289196
(2S)-2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]pentanedioic acid
CID 107642531
2-(2,2-dimethylbutylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 103463151
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
2-(2,3-dimethylbutanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288233
2-[(2-iodophenyl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289052
2-[[(2S)-2-aminobutanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279603
2-(1-methylpyrazol-4-yl)-2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]acetic acid
CID 82873758
2-[4-(dimethylamino)butan-2-ylcarbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115289202

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
The IUPAC name of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid (CID 107642482) is 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
The canonical SMILES for 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid is CCc1nnc(NC(=O)NC(C(=O)O)c2cnn(C)c2)s1.
What is the InChIKey of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
The InChIKey is FJCBCBVNEQOHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3S/c1-3-7-15-16-11(21-7)14-10(20)13-8(9(18)19)6-4-12-17(2)5-6/h4-5,8H,3H2,1-2H3,(H,18,19)(H2,13,14,16,20).
What are the key properties of 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid?
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid has a molecular weight of 310.34 g/mol, XLogP of 0.78, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid is sourced from PubChem (CID 107642482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).