N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

C15H25N3O2S — CID 94025992

IUPACN-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)N[C@@H](C)CN2CCOCC2)cs1
InChIInChI=1S/C15H25N3O2S/c1-11(2)15-17-13(10-21-15)8-14(19)16-12(3)9-18-4-6-20-7-5-18/h10-12H,4-9H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyGOKJTQXSTMXAAP-LBPRGKRZSA-N
MW311.45 g/mol
LogP1.65
Rot. Bonds6

About N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide

N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (PubChem CID 94025992) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
PubChem CID94025992
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC NameN-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide
SMILESCC(C)c1nc(CC(=O)N[C@@H](C)CN2CCOCC2)cs1
InChIInChI=1S/C15H25N3O2S/c1-11(2)15-17-13(10-21-15)8-14(19)16-12(3)9-18-4-6-20-7-5-18/h10-12H,4-9H2,1-3H3,(H,16,19)/t12-/m0/s1
InChIKeyGOKJTQXSTMXAAP-LBPRGKRZSA-N
XLogP1.65
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The IUPAC name of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide (CID 94025992) is N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide.
What is the SMILES notation for N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The canonical SMILES for N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is CC(C)c1nc(CC(=O)N[C@@H](C)CN2CCOCC2)cs1.
What is the InChIKey of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
The InChIKey is GOKJTQXSTMXAAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-11(2)15-17-13(10-21-15)8-14(19)16-12(3)9-18-4-6-20-7-5-18/h10-12H,4-9H2,1-3H3,(H,16,19)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide?
N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide has a molecular weight of 311.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-morpholin-4-ylpropan-2-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)acetamide is sourced from PubChem (CID 94025992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).