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

C9H11N5O2S — CID 115288428

IUPAC2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid
SMILESCc1nnc(NC(C(=O)O)c2cnn(C)c2)s1
InChIInChI=1S/C9H11N5O2S/c1-5-12-13-9(17-5)11-7(8(15)16)6-3-10-14(2)4-6/h3-4,7H,1-2H3,(H,11,13)(H,15,16)
InChIKeyLEUAEUBDHHJAMY-UHFFFAOYSA-N
MW253.29 g/mol
LogP0.82
Rot. Bonds4

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

2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid (PubChem CID 115288428) has the molecular formula C9H11N5O2S and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid
PubChem CID115288428
Molecular FormulaC9H11N5O2S
Molecular Weight253.29 g/mol
Exact Mass253.06
IUPAC Name2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid
SMILESCc1nnc(NC(C(=O)O)c2cnn(C)c2)s1
InChIInChI=1S/C9H11N5O2S/c1-5-12-13-9(17-5)11-7(8(15)16)6-3-10-14(2)4-6/h3-4,7H,1-2H3,(H,11,13)(H,15,16)
InChIKeyLEUAEUBDHHJAMY-UHFFFAOYSA-N
XLogP0.82
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethanol
CID 133323484
2-(1-methylpyrazol-4-yl)-2-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]acetic acid
CID 107304413
2-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamoylamino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 107642482
(2S)-2-(ethylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 93280089
2-(1-methylpyrazol-4-yl)-2-(prop-2-enoylamino)acetic acid
CID 115287988
2-(4-carbamoyl-3-methylanilino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288415
2-(1-methylpyrazol-4-yl)-2-[(5-methylthiophen-2-yl)sulfonylamino]acetic acid
CID 115288348
2-[(6-methyl-2-propan-2-ylpyrimidin-4-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288462
2-(1-methylpyrazol-4-yl)-2-(1,2,5-thiadiazole-3-carbonylamino)acetic acid
CID 115288107
2-(1-methylpyrazol-4-yl)-2-[(5-nitropyrimidin-2-yl)amino]acetic acid
CID 115288537
2-[[(2R)-2-aminopropanoyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288761
2-(2,3-dimethylbutanoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288233

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid (CID 115288428) is 2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid is Cc1nnc(NC(C(=O)O)c2cnn(C)c2)s1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid?
The InChIKey is LEUAEUBDHHJAMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2S/c1-5-12-13-9(17-5)11-7(8(15)16)6-3-10-14(2)4-6/h3-4,7H,1-2H3,(H,11,13)(H,15,16).
What are the key properties of 2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid?
2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid has a molecular weight of 253.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetic acid is sourced from PubChem (CID 115288428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).