(2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol

C10H17N3O2S — CID 164639342

IUPAC(2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol
SMILESOC[C@H](CN1CCOCC1)Nc1nccs1
InChIInChI=1S/C10H17N3O2S/c14-8-9(12-10-11-1-6-16-10)7-13-2-4-15-5-3-13/h1,6,9,14H,2-5,7-8H2,(H,11,12)/t9-/m0/s1
InChIKeyBJEQCTPMILCUHN-VIFPVBQESA-N
MW243.33 g/mol
LogP0.25
Rot. Bonds5

About (2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol

(2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol (PubChem CID 164639342) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is (2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name(2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol
PubChem CID164639342
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name(2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol
SMILESOC[C@H](CN1CCOCC1)Nc1nccs1
InChIInChI=1S/C10H17N3O2S/c14-8-9(12-10-11-1-6-16-10)7-13-2-4-15-5-3-13/h1,6,9,14H,2-5,7-8H2,(H,11,12)/t9-/m0/s1
InChIKeyBJEQCTPMILCUHN-VIFPVBQESA-N
XLogP0.25
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol?
The IUPAC name of (2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol (CID 164639342) is (2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol.
What is the SMILES notation for (2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol?
The canonical SMILES for (2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol is OC[C@H](CN1CCOCC1)Nc1nccs1.
What is the InChIKey of (2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol?
The InChIKey is BJEQCTPMILCUHN-VIFPVBQESA-N. The full InChI is InChI=1S/C10H17N3O2S/c14-8-9(12-10-11-1-6-16-10)7-13-2-4-15-5-3-13/h1,6,9,14H,2-5,7-8H2,(H,11,12)/t9-/m0/s1.
What are the key properties of (2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol?
(2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol has a molecular weight of 243.33 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-morpholin-4-yl-2-(1,3-thiazol-2-ylamino)propan-1-ol is sourced from PubChem (CID 164639342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).