2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide

C17H19N3O4S — CID 51583421

IUPAC2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cs1
InChIInChI=1S/C17H19N3O4S/c1-11(21)18-17-20-14(10-25-17)16(22)19-13-6-2-3-7-15(13)24-9-12-5-4-8-23-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,19,22)(H,18,20,21)/t12-/m0/s1
InChIKeySTICTEUGEUACCO-LBPRGKRZSA-N
MW361.42 g/mol
LogP2.91
Rot. Bonds6

About 2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide

2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (PubChem CID 51583421) has the molecular formula C17H19N3O4S and a molecular weight of 361.42 g/mol. Its IUPAC name is 2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
PubChem CID51583421
Molecular FormulaC17H19N3O4S
Molecular Weight361.42 g/mol
Exact Mass361.11
IUPAC Name2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
SMILESCC(=O)Nc1nc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cs1
InChIInChI=1S/C17H19N3O4S/c1-11(21)18-17-20-14(10-25-17)16(22)19-13-6-2-3-7-15(13)24-9-12-5-4-8-23-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,19,22)(H,18,20,21)/t12-/m0/s1
InChIKeySTICTEUGEUACCO-LBPRGKRZSA-N
XLogP2.91
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.42
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-N-[2-[[(2R)-oxan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide
CID 51584307
4-chloro-N-[2-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 17170162
4-methyl-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386200
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
2-(aminomethyl)-N-[5-fluoro-2-(oxolan-2-ylmethoxy)phenyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119779493
2-acetamido-N-[2-(2-morpholin-4-ylethoxy)phenyl]-1,3-thiazole-4-carboxamide
CID 92550749
3-methyl-N-[2-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-5-carboxamide
CID 43911417
3-acetamido-4-methyl-N-[2-(oxan-2-ylmethoxy)phenyl]benzamide
CID 86835564
2-bromo-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]acetamide
CID 93083252
N-[2-(oxolan-2-ylmethoxy)phenyl]adamantane-1-carboxamide
CID 54787347
N-[2-[[(2S)-oxan-2-yl]methoxy]phenyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 94647683
2-(4-acetamidoanilino)-N-[2-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 54809220

Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide (CID 51583421) is 2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is CC(=O)Nc1nc(C(=O)Nc2ccccc2OC[C@@H]2CCCO2)cs1.
What is the InChIKey of 2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
The InChIKey is STICTEUGEUACCO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H19N3O4S/c1-11(21)18-17-20-14(10-25-17)16(22)19-13-6-2-3-7-15(13)24-9-12-5-4-8-23-12/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,19,22)(H,18,20,21)/t12-/m0/s1.
What are the key properties of 2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide?
2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide has a molecular weight of 361.42 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 51583421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).