2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone

C16H15N3O2S2 — CID 17445145

IUPAC2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1nc(-c2nc3ccccc3s2)cs1)N1CCOCC1
InChIInChI=1S/C16H15N3O2S2/c20-15(19-5-7-21-8-6-19)9-14-17-12(10-22-14)16-18-11-3-1-2-4-13(11)23-16/h1-4,10H,5-9H2
InChIKeyMKOMHSIVOMOEOC-UHFFFAOYSA-N
MW345.45 g/mol
LogP2.82
Rot. Bonds3

About 2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone

2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone (PubChem CID 17445145) has the molecular formula C16H15N3O2S2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone
PubChem CID17445145
Molecular FormulaC16H15N3O2S2
Molecular Weight345.45 g/mol
Exact Mass345.06
IUPAC Name2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone
SMILESO=C(Cc1nc(-c2nc3ccccc3s2)cs1)N1CCOCC1
InChIInChI=1S/C16H15N3O2S2/c20-15(19-5-7-21-8-6-19)9-14-17-12(10-22-14)16-18-11-3-1-2-4-13(11)23-16/h1-4,10H,5-9H2
InChIKeyMKOMHSIVOMOEOC-UHFFFAOYSA-N
XLogP2.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-morpholin-4-yl-2-oxoethyl)-1,3-thiazole-4-carboxylic acid
CID 82154968
1-morpholin-4-yl-2-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]ethanone
CID 9422033
2-[4-[2,5-dimethyl-1-(2-phenylethyl)pyrrol-3-yl]-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone
CID 17418164
1-morpholin-4-yl-2-(4-phenyl-1,3-thiazol-2-yl)ethanethione
CID 27439636
1-morpholin-4-yl-2-(2-pyridin-2-yl-1,3-thiazol-4-yl)ethanone
CID 33236750
3-(1,3-benzothiazol-2-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]propan-1-one
CID 17495119
2-[[(1S)-1-(1,3-benzothiazol-2-yl)ethyl]-methylamino]-1-morpholin-4-ylethanone
CID 9047276
2-(2-chloro-1-benzothiophen-3-yl)-1-morpholin-4-ylethanone
CID 5047819
4-(1,3-benzothiazol-2-yl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]butan-1-one
CID 38490766
1-morpholin-4-yl-3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-one
CID 110647606
1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione
CID 9235840
2-(3-methylquinoxalin-2-yl)-1-morpholin-4-ylethanone
CID 3667314

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone (CID 17445145) is 2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone is O=C(Cc1nc(-c2nc3ccccc3s2)cs1)N1CCOCC1.
What is the InChIKey of 2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone?
The InChIKey is MKOMHSIVOMOEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S2/c20-15(19-5-7-21-8-6-19)9-14-17-12(10-22-14)16-18-11-3-1-2-4-13(11)23-16/h1-4,10H,5-9H2.
What are the key properties of 2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone?
2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone has a molecular weight of 345.45 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzothiazol-2-yl)-1,3-thiazol-2-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 17445145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).