N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine

C10H19N3OS — CID 83017319

IUPACN-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine
SMILESCC(C)[C@H]1CSC(NN2CCOCC2)=N1
InChIInChI=1S/C10H19N3OS/c1-8(2)9-7-15-10(11-9)12-13-3-5-14-6-4-13/h8-9H,3-7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyJAYZGRRVWRCXNW-SECBINFHSA-N
MW229.35 g/mol
LogP0.95
Rot. Bonds2

About N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine

N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine (PubChem CID 83017319) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine.

Molecular Properties

Compound NameN-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine
PubChem CID83017319
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC NameN-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine
SMILESCC(C)[C@H]1CSC(NN2CCOCC2)=N1
InChIInChI=1S/C10H19N3OS/c1-8(2)9-7-15-10(11-9)12-13-3-5-14-6-4-13/h8-9H,3-7H2,1-2H3,(H,11,12)/t9-/m1/s1
InChIKeyJAYZGRRVWRCXNW-SECBINFHSA-N
XLogP0.95
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine?
The IUPAC name of N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine (CID 83017319) is N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine.
What is the SMILES notation for N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine?
The canonical SMILES for N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine is CC(C)[C@H]1CSC(NN2CCOCC2)=N1.
What is the InChIKey of N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine?
The InChIKey is JAYZGRRVWRCXNW-SECBINFHSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-8(2)9-7-15-10(11-9)12-13-3-5-14-6-4-13/h8-9H,3-7H2,1-2H3,(H,11,12)/t9-/m1/s1.
What are the key properties of N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine?
N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine has a molecular weight of 229.35 g/mol, XLogP of 0.95, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl]morpholin-4-amine is sourced from PubChem (CID 83017319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).