1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione

C15H16N2OS2 — CID 27439636

IUPAC1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione
SMILESS=C(Cc1nc(-c2ccccc2)cs1)N1CCOCC1
InChIInChI=1S/C15H16N2OS2/c19-15(17-6-8-18-9-7-17)10-14-16-13(11-20-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyDUJWYTPXOMGRAP-UHFFFAOYSA-N
MW304.44 g/mol
LogP3.01
Rot. Bonds3

About 1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione

1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione (PubChem CID 27439636) has the molecular formula C15H16N2OS2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione
PubChem CID27439636
Molecular FormulaC15H16N2OS2
Molecular Weight304.44 g/mol
Exact Mass304.07
IUPAC Name1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione
SMILESS=C(Cc1nc(-c2ccccc2)cs1)N1CCOCC1
InChIInChI=1S/C15H16N2OS2/c19-15(17-6-8-18-9-7-17)10-14-16-13(11-20-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2
InChIKeyDUJWYTPXOMGRAP-UHFFFAOYSA-N
XLogP3.01
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-morpholin-4-yl-2-sulfanylideneethyl)-1,3-thiazol-4-yl]chromen-2-one
CID 8005733
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]morpholin-4-amine
CID 83011895
2-(4-phenyl-1,3-thiazol-2-yl)ethanethioamide
CID 724012
2-methyl-1-[[2-(morpholin-4-ylmethyl)phenyl]methyl]-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111375388
2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone
CID 17445145
1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647606
morpholin-4-yl-[4-[2-(pyridin-2-ylmethyl)-1,3-thiazol-4-yl]phenyl]methanone
CID 159923241
4-[[(4-phenyl-1,3-thiazol-2-yl)methylamino]methyl]oxan-4-ol
CID 78942180
2-methyl-1-(2-morpholin-4-ylethyl)-3-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine;hydroiodide
CID 111046238
2-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 2158825
N'-hydroxy-2-(4-phenyl-1,3-thiazol-2-yl)ethanimidamide
CID 73448477
1-ethyl-3-(2-morpholin-4-ylpropyl)-2-[(4-phenyl-1,3-thiazol-2-yl)methyl]guanidine
CID 111022181

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione?
The IUPAC name of 1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione (CID 27439636) is 1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione?
The canonical SMILES for 1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione is S=C(Cc1nc(-c2ccccc2)cs1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione?
The InChIKey is DUJWYTPXOMGRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2OS2/c19-15(17-6-8-18-9-7-17)10-14-16-13(11-20-14)12-4-2-1-3-5-12/h1-5,11H,6-10H2.
What are the key properties of 1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione?
1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione has a molecular weight of 304.44 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione is sourced from PubChem (CID 27439636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).