1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one

C15H17N3O2S — CID 110647606

IUPAC1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccncc2)cs1)N1CCOCC1
InChIInChI=1S/C15H17N3O2S/c19-15(18-7-9-20-10-8-18)2-1-14-17-13(11-21-14)12-3-5-16-6-4-12/h3-6,11H,1-2,7-10H2
InChIKeyPVCYVXOEAKCABN-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.00
Rot. Bonds4

About 1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one

1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one (PubChem CID 110647606) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is 1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
PubChem CID110647606
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
SMILESO=C(CCc1nc(-c2ccncc2)cs1)N1CCOCC1
InChIInChI=1S/C15H17N3O2S/c19-15(18-7-9-20-10-8-18)2-1-14-17-13(11-21-14)12-3-5-16-6-4-12/h3-6,11H,1-2,7-10H2
InChIKeyPVCYVXOEAKCABN-UHFFFAOYSA-N
XLogP2.00
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one (CID 110647606) is 1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one is O=C(CCc1nc(-c2ccncc2)cs1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one?
The InChIKey is PVCYVXOEAKCABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c19-15(18-7-9-20-10-8-18)2-1-14-17-13(11-21-14)12-3-5-16-6-4-12/h3-6,11H,1-2,7-10H2.
What are the key properties of 1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one?
1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one has a molecular weight of 303.39 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one is sourced from PubChem (CID 110647606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).