6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

C10H7N5O3S — CID 64780586

IUPAC6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESNC(=O)c1ccn(-c2nc3sccn3c2C(=O)O)n1
InChIInChI=1S/C10H7N5O3S/c11-7(16)5-1-2-15(13-5)8-6(9(17)18)14-3-4-19-10(14)12-8/h1-4H,(H2,11,16)(H,17,18)
InChIKeyYUHLZNFNFPKWBF-UHFFFAOYSA-N
MW277.27 g/mol
LogP0.38
Rot. Bonds3

About 6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid

6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (PubChem CID 64780586) has the molecular formula C10H7N5O3S and a molecular weight of 277.27 g/mol. Its IUPAC name is 6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
PubChem CID64780586
Molecular FormulaC10H7N5O3S
Molecular Weight277.27 g/mol
Exact Mass277.03
IUPAC Name6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
SMILESNC(=O)c1ccn(-c2nc3sccn3c2C(=O)O)n1
InChIInChI=1S/C10H7N5O3S/c11-7(16)5-1-2-15(13-5)8-6(9(17)18)14-3-4-19-10(14)12-8/h1-4H,(H2,11,16)(H,17,18)
InChIKeyYUHLZNFNFPKWBF-UHFFFAOYSA-N
XLogP0.38
TPSA115.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.27
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-cyclopropylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 55078781
1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64782872
1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64781178
1-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)pyrazole-3-carboxamide
CID 103335990
N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64782689
6-phenoxyimidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475881
6-(4-ethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 43475765
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 113335844
6-(4-methylsulfonylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 62993454
6-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 114460458
6-(4-tert-butylpiperidin-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 62090741
1-[3-(2-aminopropyl)imidazo[1,2-a]pyridin-2-yl]pyrazole-3-carboxamide
CID 64782140

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The IUPAC name of 6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid (CID 64780586) is 6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid.
What is the SMILES notation for 6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The canonical SMILES for 6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is NC(=O)c1ccn(-c2nc3sccn3c2C(=O)O)n1.
What is the InChIKey of 6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
The InChIKey is YUHLZNFNFPKWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O3S/c11-7(16)5-1-2-15(13-5)8-6(9(17)18)14-3-4-19-10(14)12-8/h1-4H,(H2,11,16)(H,17,18).
What are the key properties of 6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid?
6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid has a molecular weight of 277.27 g/mol, XLogP of 0.38, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid is sourced from PubChem (CID 64780586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).