5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide

C16H17N7OS — CID 133406968

IUPAC5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide
SMILESCC(C)(C)c1cn2nc(Nc3ccc4[nH]nc(C(N)=O)c4c3)sc2n1
InChIInChI=1S/C16H17N7OS/c1-16(2,3)11-7-23-15(19-11)25-14(22-23)18-8-4-5-10-9(6-8)12(13(17)24)21-20-10/h4-7H,1-3H3,(H2,17,24)(H,18,22)(H,20,21)
InChIKeyITGOGKRVLAVRLX-UHFFFAOYSA-N
MW355.43 g/mol
LogP2.81
Rot. Bonds3

About 5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide

5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide (PubChem CID 133406968) has the molecular formula C16H17N7OS and a molecular weight of 355.43 g/mol. Its IUPAC name is 5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide
PubChem CID133406968
Molecular FormulaC16H17N7OS
Molecular Weight355.43 g/mol
Exact Mass355.12
IUPAC Name5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide
SMILESCC(C)(C)c1cn2nc(Nc3ccc4[nH]nc(C(N)=O)c4c3)sc2n1
InChIInChI=1S/C16H17N7OS/c1-16(2,3)11-7-23-15(19-11)25-14(22-23)18-8-4-5-10-9(6-8)12(13(17)24)21-20-10/h4-7H,1-3H3,(H2,17,24)(H,18,22)(H,20,21)
InChIKeyITGOGKRVLAVRLX-UHFFFAOYSA-N
XLogP2.81
TPSA113.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.43
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide?
The IUPAC name of 5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide (CID 133406968) is 5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide.
What is the SMILES notation for 5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide?
The canonical SMILES for 5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide is CC(C)(C)c1cn2nc(Nc3ccc4[nH]nc(C(N)=O)c4c3)sc2n1.
What is the InChIKey of 5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide?
The InChIKey is ITGOGKRVLAVRLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7OS/c1-16(2,3)11-7-23-15(19-11)25-14(22-23)18-8-4-5-10-9(6-8)12(13(17)24)21-20-10/h4-7H,1-3H3,(H2,17,24)(H,18,22)(H,20,21).
What are the key properties of 5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide?
5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide has a molecular weight of 355.43 g/mol, XLogP of 2.81, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-tert-butylimidazo[2,1-b][1,3,4]thiadiazol-2-yl)amino]-1H-indazole-3-carboxamide is sourced from PubChem (CID 133406968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).