[(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone

C19H30N4O2S — CID 56893254

IUPAC[(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)c1nc(CN(C)CC2[C@H]3CN(C(=O)N4CCOCC4)C[C@@H]23)cs1
InChIInChI=1S/C19H30N4O2S/c1-13(2)18-20-14(12-26-18)8-21(3)9-15-16-10-23(11-17(15)16)19(24)22-4-6-25-7-5-22/h12-13,15-17H,4-11H2,1-3H3/t15?,16-,17+
InChIKeyWWZLHWYGBBQPDA-ALOPSCKCSA-N
MW378.54 g/mol
LogP2.33
Rot. Bonds5

About [(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone

[(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone (PubChem CID 56893254) has the molecular formula C19H30N4O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is [(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone
PubChem CID56893254
Molecular FormulaC19H30N4O2S
Molecular Weight378.54 g/mol
Exact Mass378.21
IUPAC Name[(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone
SMILESCC(C)c1nc(CN(C)CC2[C@H]3CN(C(=O)N4CCOCC4)C[C@@H]23)cs1
InChIInChI=1S/C19H30N4O2S/c1-13(2)18-20-14(12-26-18)8-21(3)9-15-16-10-23(11-17(15)16)19(24)22-4-6-25-7-5-22/h12-13,15-17H,4-11H2,1-3H3/t15?,16-,17+
InChIKeyWWZLHWYGBBQPDA-ALOPSCKCSA-N
XLogP2.33
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone with MolForge

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Launch Full Analysis

Related Compounds

morpholin-4-yl-[(3S)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]methanone
CID 94083807
2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-yl-4-oxobutanoyl iodide
CID 118475457
1-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62334490
bis[(2S)-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl] oxalate
CID 90259459
2-[2-(1-aminoethyl)-1,3-thiazol-4-yl]-1-morpholin-4-ylethanone
CID 82547942
1-methoxy-3-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]propan-2-ol
CID 62016549
4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 63711703
tert-butyl N-[2-[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]-2-oxoethyl]-N-(2-morpholin-4-ylethyl)carbamate
CID 59414221
N-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]cyclopropanamine
CID 126762296
2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-N-[5-[[2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanoyl]amino]-1,6-diphenylhexan-2-yl]-4-morpholin-4-ylbutanamide
CID 170458243
(2S)-2-methyl-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 94381346
(2S)-N-[(2R,5R)-5-amino-1,6-diphenylhexan-2-yl]-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]-4-morpholin-4-ylbutanamide;hydrochloride
CID 122479863

Frequently Asked Questions

What is the IUPAC name of [(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone (CID 56893254) is [(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone is CC(C)c1nc(CN(C)CC2[C@H]3CN(C(=O)N4CCOCC4)C[C@@H]23)cs1.
What is the InChIKey of [(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone?
The InChIKey is WWZLHWYGBBQPDA-ALOPSCKCSA-N. The full InChI is InChI=1S/C19H30N4O2S/c1-13(2)18-20-14(12-26-18)8-21(3)9-15-16-10-23(11-17(15)16)19(24)22-4-6-25-7-5-22/h12-13,15-17H,4-11H2,1-3H3/t15?,16-,17+.
What are the key properties of [(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone?
[(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone has a molecular weight of 378.54 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5R)-6-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]amino]methyl]-3-azabicyclo[3.1.0]hexan-3-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56893254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).