2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide

C15H17N3O3S — CID 41156154

IUPAC2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1cc(-c2csc(NC[C@@H]3CCCO3)n2)ccc1O
InChIInChI=1S/C15H17N3O3S/c16-14(20)11-6-9(3-4-13(11)19)12-8-22-15(18-12)17-7-10-2-1-5-21-10/h3-4,6,8,10,19H,1-2,5,7H2,(H2,16,20)(H,17,18)/t10-/m0/s1
InChIKeyGFWNZUOPDTWECL-JTQLQIEISA-N
MW319.39 g/mol
LogP2.21
Rot. Bonds5

About 2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide

2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide (PubChem CID 41156154) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is 2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide.

Molecular Properties

Compound Name2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide
PubChem CID41156154
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide
SMILESNC(=O)c1cc(-c2csc(NC[C@@H]3CCCO3)n2)ccc1O
InChIInChI=1S/C15H17N3O3S/c16-14(20)11-6-9(3-4-13(11)19)12-8-22-15(18-12)17-7-10-2-1-5-21-10/h3-4,6,8,10,19H,1-2,5,7H2,(H2,16,20)(H,17,18)/t10-/m0/s1
InChIKeyGFWNZUOPDTWECL-JTQLQIEISA-N
XLogP2.21
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

cyclopropyl-[5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-2,3-dihydroindol-1-yl]methanone
CID 1438647
[4-[2-[[(2R)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]-1H-pyrrol-2-yl]-pyrrolidin-1-ylmethanone
CID 25441563
6-[2-(oxolan-2-ylmethylamino)-1,3-thiazol-4-yl]-4H-1,4-benzoxazin-3-one
CID 2999460
(2S)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 41119231
(2R)-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[[5-[[(2S)-oxolan-2-yl]methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]propanamide
CID 41119232
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
6-(oxan-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099568
2-hydroxy-5-[2-[4-(2-phenyl-1,3-thiazol-4-yl)phenyl]-1,3-thiazol-4-yl]benzamide
CID 155566832
N-[4-(3-fluorophenyl)-1,3-thiazol-2-yl]-3-[(2S)-oxolan-2-yl]propanamide
CID 51937676
4-(oxolan-2-ylmethylamino)benzamide
CID 43179718
3-(2-methyl-1,3-thiazol-4-yl)-N-(oxolan-2-ylmethyl)aniline
CID 82833997
4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 41143854

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide?
The IUPAC name of 2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide (CID 41156154) is 2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide.
What is the SMILES notation for 2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide?
The canonical SMILES for 2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide is NC(=O)c1cc(-c2csc(NC[C@@H]3CCCO3)n2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide?
The InChIKey is GFWNZUOPDTWECL-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O3S/c16-14(20)11-6-9(3-4-13(11)19)12-8-22-15(18-12)17-7-10-2-1-5-21-10/h3-4,6,8,10,19H,1-2,5,7H2,(H2,16,20)(H,17,18)/t10-/m0/s1.
What are the key properties of 2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide?
2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide has a molecular weight of 319.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-[[(2S)-oxolan-2-yl]methylamino]-1,3-thiazol-4-yl]benzamide is sourced from PubChem (CID 41156154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).