2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol

C13H18N6OS — CID 133272559

IUPAC2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol
SMILESCC(C)(C)c1cn2nc(Nc3cnn(CCO)c3)sc2n1
InChIInChI=1S/C13H18N6OS/c1-13(2,3)10-8-19-12(16-10)21-11(17-19)15-9-6-14-18(7-9)4-5-20/h6-8,20H,4-5H2,1-3H3,(H,15,17)
InChIKeyRPWKIZBJHWKDLD-UHFFFAOYSA-N
MW306.40 g/mol
LogP2.02
Rot. Bonds4

About 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol

2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol (PubChem CID 133272559) has the molecular formula C13H18N6OS and a molecular weight of 306.40 g/mol. Its IUPAC name is 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol
PubChem CID133272559
Molecular FormulaC13H18N6OS
Molecular Weight306.40 g/mol
Exact Mass306.13
IUPAC Name2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol
SMILESCC(C)(C)c1cn2nc(Nc3cnn(CCO)c3)sc2n1
InChIInChI=1S/C13H18N6OS/c1-13(2,3)10-8-19-12(16-10)21-11(17-19)15-9-6-14-18(7-9)4-5-20/h6-8,20H,4-5H2,1-3H3,(H,15,17)
InChIKeyRPWKIZBJHWKDLD-UHFFFAOYSA-N
XLogP2.02
TPSA80.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol with MolForge

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Related Compounds

6-tert-butyl-N-[2-(4-methylpyrazol-1-yl)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133281812
N'-tert-butyl-N-(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)ethane-1,2-diamine
CID 133287378
6-tert-butyl-N-(3-fluoro-5-methoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133362661
6-tert-butyl-N-(2-ethoxyethyl)imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 47054436
5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide
CID 133406968
6-tert-butyl-N-[2-(2-methylprop-2-enoxy)ethyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133366326
2-[4-[(2-tert-butyl-1,3-thiazol-5-yl)methylamino]pyrazol-1-yl]ethanol
CID 110928797
ethane;2-[4-(methylamino)pyrazol-1-yl]ethanol
CID 171834591
2-[4-[(5-methylpyrimidin-2-yl)amino]pyrazol-1-yl]ethanol
CID 141287434
2-[4-[[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]amino]pyrazol-1-yl]ethanol
CID 133404922
6-tert-butyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 133271850
2-[4-(2-methylpropylamino)pyrazol-1-yl]ethanol;hydrochloride
CID 126964216

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol (CID 133272559) is 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol is CC(C)(C)c1cn2nc(Nc3cnn(CCO)c3)sc2n1.
What is the InChIKey of 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol?
The InChIKey is RPWKIZBJHWKDLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-13(2,3)10-8-19-12(16-10)21-11(17-19)15-9-6-14-18(7-9)4-5-20/h6-8,20H,4-5H2,1-3H3,(H,15,17).
What are the key properties of 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol?
2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol has a molecular weight of 306.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 133272559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).