(2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

C18H22N2O3S — CID 94795987

IUPAC(2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESCc1nc(-c2ccc(NC(=O)[C@@H](C)OC[C@@H]3CCCO3)cc2)cs1
InChIInChI=1S/C18H22N2O3S/c1-12(23-10-16-4-3-9-22-16)18(21)20-15-7-5-14(6-8-15)17-11-24-13(2)19-17/h5-8,11-12,16H,3-4,9-10H2,1-2H3,(H,20,21)/t12-,16+/m1/s1
InChIKeyRDQQMUWYSNYFLV-WBMJQRKESA-N
MW346.45 g/mol
LogP3.64
Rot. Bonds6

About (2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide

(2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (PubChem CID 94795987) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is (2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
PubChem CID94795987
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name(2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
SMILESCc1nc(-c2ccc(NC(=O)[C@@H](C)OC[C@@H]3CCCO3)cc2)cs1
InChIInChI=1S/C18H22N2O3S/c1-12(23-10-16-4-3-9-22-16)18(21)20-15-7-5-14(6-8-15)17-11-24-13(2)19-17/h5-8,11-12,16H,3-4,9-10H2,1-2H3,(H,20,21)/t12-,16+/m1/s1
InChIKeyRDQQMUWYSNYFLV-WBMJQRKESA-N
XLogP3.64
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide with MolForge

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Related Compounds

N-[4-[5-(aminomethyl)-1H-1,2,4-triazol-3-yl]phenyl]-2-(oxolan-2-ylmethoxy)propanamide
CID 120566641
4-[[(2R)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzoic acid
CID 97233672
N-(4-acetylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48845435
N-methyl-4-[[(2S)-2-[[(2R)-oxolan-2-yl]methoxy]propanoyl]amino]benzamide
CID 95247449
N-(4-carbamothioylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 43097898
(2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 94814555
(2R)-N-(4-acetamidophenyl)-2-[4-(2-methyl-1,3-thiazol-4-yl)anilino]propanamide
CID 25407937
N-(1-ethylindol-5-yl)-2-(oxolan-2-ylmethoxy)propanamide
CID 49493559
2-(methylamino)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 55096711
(2S,3S)-2-amino-3-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pentanamide
CID 61274193
2-(4-chloro-2-methylphenoxy)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]propanamide
CID 18230517
N-(3-chloro-4-piperidin-1-ylphenyl)-2-(oxolan-2-ylmethoxy)propanamide
CID 48861457

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The IUPAC name of (2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide (CID 94795987) is (2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The canonical SMILES for (2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is Cc1nc(-c2ccc(NC(=O)[C@@H](C)OC[C@@H]3CCCO3)cc2)cs1.
What is the InChIKey of (2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
The InChIKey is RDQQMUWYSNYFLV-WBMJQRKESA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12(23-10-16-4-3-9-22-16)18(21)20-15-7-5-14(6-8-15)17-11-24-13(2)19-17/h5-8,11-12,16H,3-4,9-10H2,1-2H3,(H,20,21)/t12-,16+/m1/s1.
What are the key properties of (2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide?
(2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide has a molecular weight of 346.45 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide is sourced from PubChem (CID 94795987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).