2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole

C17H28N2S — CID 176632013

IUPAC2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(C[C@@]23C[C@@H](C)N(C(C)(C)C)[C@@H]2C3)s1
InChIInChI=1S/C17H28N2S/c1-11(2)13-10-18-15(20-13)9-17-7-12(3)19(14(17)8-17)16(4,5)6/h10-12,14H,7-9H2,1-6H3/t12-,14-,17+/m1/s1
InChIKeyAVSUSRDTXRUBBU-MRRJBJDNSA-N
MW292.49 g/mol
LogP4.46
Rot. Bonds3

About 2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole

2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole (PubChem CID 176632013) has the molecular formula C17H28N2S and a molecular weight of 292.49 g/mol. Its IUPAC name is 2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole
PubChem CID176632013
Molecular FormulaC17H28N2S
Molecular Weight292.49 g/mol
Exact Mass292.20
IUPAC Name2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole
SMILESCC(C)c1cnc(C[C@@]23C[C@@H](C)N(C(C)(C)C)[C@@H]2C3)s1
InChIInChI=1S/C17H28N2S/c1-11(2)13-10-18-15(20-13)9-17-7-12(3)19(14(17)8-17)16(4,5)6/h10-12,14H,7-9H2,1-6H3/t12-,14-,17+/m1/s1
InChIKeyAVSUSRDTXRUBBU-MRRJBJDNSA-N
XLogP4.46
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.49
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole (CID 176632013) is 2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole is CC(C)c1cnc(C[C@@]23C[C@@H](C)N(C(C)(C)C)[C@@H]2C3)s1.
What is the InChIKey of 2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole?
The InChIKey is AVSUSRDTXRUBBU-MRRJBJDNSA-N. The full InChI is InChI=1S/C17H28N2S/c1-11(2)13-10-18-15(20-13)9-17-7-12(3)19(14(17)8-17)16(4,5)6/h10-12,14H,7-9H2,1-6H3/t12-,14-,17+/m1/s1.
What are the key properties of 2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole?
2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole has a molecular weight of 292.49 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R,3R,5R)-2-tert-butyl-3-methyl-2-azabicyclo[3.1.0]hexan-5-yl]methyl]-5-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 176632013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).