N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide

C18H18N2O3S — CID 1400481

IUPACN-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\sc2ccccc2n1C[C@@H](O)COc1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-13(21)19-18-20(16-9-5-6-10-17(16)24-18)11-14(22)12-23-15-7-3-2-4-8-15/h2-10,14,22H,11-12H2,1H3/b19-18-/t14-/m1/s1
InChIKeyZRKDRWYADZUHFL-ORIGZDJFSA-N
MW342.42 g/mol
LogP2.59
Rot. Bonds5

About N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide

N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide (PubChem CID 1400481) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide.

Molecular Properties

Compound NameN-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide
PubChem CID1400481
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide
SMILESCC(=O)/N=c1\sc2ccccc2n1C[C@@H](O)COc1ccccc1
InChIInChI=1S/C18H18N2O3S/c1-13(21)19-18-20(16-9-5-6-10-17(16)24-18)11-14(22)12-23-15-7-3-2-4-8-15/h2-10,14,22H,11-12H2,1H3/b19-18-/t14-/m1/s1
InChIKeyZRKDRWYADZUHFL-ORIGZDJFSA-N
XLogP2.59
TPSA63.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol
CID 3570121
(2R)-1-(2-cyclohexylimino-1,3-benzothiazol-3-yl)-3-phenoxypropan-2-ol
CID 7538422
N-[3-(2-oxopropyl)-1,3-benzothiazol-2-ylidene]acetamide
CID 540636
1-ethyl-3-(2-hydroxy-3-phenoxypropyl)benzimidazol-2-one
CID 53276332
(2S)-1-(2-imino-3-methylbenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 745110
(2R)-1-(2-imino-3-methylbenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 745112
1-(3-benzyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 658293
(2R)-1-(3-heptyl-2-iminobenzimidazol-1-yl)-3-phenoxypropan-2-ol
CID 98123592
methyl 2-[2-(2-phenoxypropanoylimino)-1,3-benzothiazol-3-yl]acetate
CID 43939824
(2S)-1-(3,6-dibromocarbazol-9-yl)-3-phenoxypropan-2-ol
CID 52916664
1-[3-(4-acetylphenoxy)-2-hydroxypropyl]-3-methylbenzimidazol-2-one
CID 42890527
N-[4-[(2S)-3-carbazol-9-yl-2-hydroxypropoxy]phenyl]-N-methylacetamide
CID 2136203

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide?
The IUPAC name of N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide (CID 1400481) is N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide.
What is the SMILES notation for N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide?
The canonical SMILES for N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide is CC(=O)/N=c1\sc2ccccc2n1C[C@@H](O)COc1ccccc1.
What is the InChIKey of N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide?
The InChIKey is ZRKDRWYADZUHFL-ORIGZDJFSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13(21)19-18-20(16-9-5-6-10-17(16)24-18)11-14(22)12-23-15-7-3-2-4-8-15/h2-10,14,22H,11-12H2,1H3/b19-18-/t14-/m1/s1.
What are the key properties of N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide?
N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide has a molecular weight of 342.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2R)-2-hydroxy-3-phenoxypropyl]-1,3-benzothiazol-2-ylidene]acetamide is sourced from PubChem (CID 1400481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).