1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide

C12H14N6OS — CID 64782872

IUPAC1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
SMILESCCNCc1c(-n2ccc(C(N)=O)n2)nc2sccn12
InChIInChI=1S/C12H14N6OS/c1-2-14-7-9-11(15-12-17(9)5-6-20-12)18-4-3-8(16-18)10(13)19/h3-6,14H,2,7H2,1H3,(H2,13,19)
InChIKeyWCJDAMNUONIIIB-UHFFFAOYSA-N
MW290.35 g/mol
LogP0.79
Rot. Bonds5

About 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide

1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide (PubChem CID 64782872) has the molecular formula C12H14N6OS and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
PubChem CID64782872
Molecular FormulaC12H14N6OS
Molecular Weight290.35 g/mol
Exact Mass290.09
IUPAC Name1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
SMILESCCNCc1c(-n2ccc(C(N)=O)n2)nc2sccn12
InChIInChI=1S/C12H14N6OS/c1-2-14-7-9-11(15-12-17(9)5-6-20-12)18-4-3-8(16-18)10(13)19/h3-6,14H,2,7H2,1H3,(H2,13,19)
InChIKeyWCJDAMNUONIIIB-UHFFFAOYSA-N
XLogP0.79
TPSA90.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-[(propan-2-ylamino)methyl]imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64781178
N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64782689
6-(3-carbamoylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazole-5-carboxylic acid
CID 64780586
N-[[6-(4,5-dimethylimidazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 62349710
N-[[6-(3,4-dimethylpyrrolidin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 79188181
N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 61237982
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 62129252
N-[(6-indazol-1-ylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 62140386
N-[[6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 64575731
4-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]-1-methyl-1,4-diazepan-2-one
CID 102889682
N-[[6-(3,4,5-trimethylpiperazin-1-yl)imidazo[2,1-b][1,3]thiazol-5-yl]methyl]ethanamine
CID 114538713
N-[(6-methylsulfanylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]ethanamine
CID 63813892

Frequently Asked Questions

What is the IUPAC name of 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide (CID 64782872) is 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide is CCNCc1c(-n2ccc(C(N)=O)n2)nc2sccn12.
What is the InChIKey of 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide?
The InChIKey is WCJDAMNUONIIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6OS/c1-2-14-7-9-11(15-12-17(9)5-6-20-12)18-4-3-8(16-18)10(13)19/h3-6,14H,2,7H2,1H3,(H2,13,19).
What are the key properties of 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide?
1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide has a molecular weight of 290.35 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 64782872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).