N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

C12H14N4OS — CID 59153378

IUPACN-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NC[C@H]1NC[C@H]2C[C@H]21)c1cn2ccsc2n1
InChIInChI=1S/C12H14N4OS/c17-11(10-6-16-1-2-18-12(16)15-10)14-5-9-8-3-7(8)4-13-9/h1-2,6-9,13H,3-5H2,(H,14,17)/t7-,8-,9-/m1/s1
InChIKeyRZEDAPMIEUBRCW-IWSPIJDZSA-N
MW262.34 g/mol
LogP0.73
Rot. Bonds3

About N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide

N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (PubChem CID 59153378) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
PubChem CID59153378
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC NameN-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide
SMILESO=C(NC[C@H]1NC[C@H]2C[C@H]21)c1cn2ccsc2n1
InChIInChI=1S/C12H14N4OS/c17-11(10-6-16-1-2-18-12(16)15-10)14-5-9-8-3-7(8)4-13-9/h1-2,6-9,13H,3-5H2,(H,14,17)/t7-,8-,9-/m1/s1
InChIKeyRZEDAPMIEUBRCW-IWSPIJDZSA-N
XLogP0.73
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The IUPAC name of N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide (CID 59153378) is N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide.
What is the SMILES notation for N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The canonical SMILES for N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is O=C(NC[C@H]1NC[C@H]2C[C@H]21)c1cn2ccsc2n1.
What is the InChIKey of N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
The InChIKey is RZEDAPMIEUBRCW-IWSPIJDZSA-N. The full InChI is InChI=1S/C12H14N4OS/c17-11(10-6-16-1-2-18-12(16)15-10)14-5-9-8-3-7(8)4-13-9/h1-2,6-9,13H,3-5H2,(H,14,17)/t7-,8-,9-/m1/s1.
What are the key properties of N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide?
N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide has a molecular weight of 262.34 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,5S)-3-azabicyclo[3.1.0]hexan-2-yl]methyl]imidazo[2,1-b][1,3]thiazole-6-carboxamide is sourced from PubChem (CID 59153378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).