ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

C14H19N5O2S — CID 164547093

IUPACethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCC.COCCn1cc(-c2cn3ncc(C(N)=O)c3s2)cn1
InChIInChI=1S/C12H13N5O2S.C2H6/c1-19-3-2-16-6-8(4-14-16)10-7-17-12(20-10)9(5-15-17)11(13)18;1-2/h4-7H,2-3H2,1H3,(H2,13,18);1-2H3
InChIKeyJGMMEILFPQBEKU-UHFFFAOYSA-N
MW321.41 g/mol
LogP2.03
Rot. Bonds5

About ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide

ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (PubChem CID 164547093) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.

Molecular Properties

Compound Nameethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
PubChem CID164547093
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Nameethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
SMILESCC.COCCn1cc(-c2cn3ncc(C(N)=O)c3s2)cn1
InChIInChI=1S/C12H13N5O2S.C2H6/c1-19-3-2-16-6-8(4-14-16)10-7-17-12(20-10)9(5-15-17)11(13)18;1-2/h4-7H,2-3H2,1H3,(H2,13,18);1-2H3
InChIKeyJGMMEILFPQBEKU-UHFFFAOYSA-N
XLogP2.03
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1H-pyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547405
N-[5-[2-(2-azaspiro[3.3]heptan-2-yl)ethylcarbamoyl]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547898
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-(3-methylpyrrolidin-1-yl)acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164547957
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(3R)-3-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548154
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[[2-[(3S)-3-methylpyrrolidin-1-yl]acetyl]amino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 167139020
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[3-(2-propan-2-ylpyrrolidin-1-yl)propanoylamino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 171663851
2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[2-methyl-5-[3-(1-propan-2-ylpyrrolidin-2-yl)propanoylamino]-3-pyridinyl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 164548244
2-[4-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazol-1-yl]ethanol
CID 172649303
[1-(2-methoxyethyl)pyrazol-4-yl] carbamate
CID 68570482
6-ethyl-4-[1-(2-methoxyethyl)pyrazol-4-yl]pyridine-2-carboxamide;propane
CID 170574669
3-[5-[[2-(azepan-1-yl)acetyl]amino]-2-methyl-3-pyridinyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide
CID 175759613
ethyl 6-methyl-5-[[2-(1-methylpyrazol-4-yl)pyrazolo[5,1-b][1,3]thiazole-7-carbonyl]amino]pyridine-3-carboxylate
CID 164548132

Frequently Asked Questions

What is the IUPAC name of ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The IUPAC name of ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide (CID 164547093) is ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide.
What is the SMILES notation for ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The canonical SMILES for ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is CC.COCCn1cc(-c2cn3ncc(C(N)=O)c3s2)cn1.
What is the InChIKey of ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
The InChIKey is JGMMEILFPQBEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2S.C2H6/c1-19-3-2-16-6-8(4-14-16)10-7-17-12(20-10)9(5-15-17)11(13)18;1-2/h4-7H,2-3H2,1H3,(H2,13,18);1-2H3.
What are the key properties of ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide?
ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(2-methoxyethyl)pyrazol-4-yl]pyrazolo[5,1-b][1,3]thiazole-7-carboxamide is sourced from PubChem (CID 164547093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).