N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide

C15H19N3O4S — CID 54639806

IUPACN-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
SMILESO=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1nccs1
InChIInChI=1S/C15H19N3O4S/c19-8-12-11(17-14(21)9-1-2-9)4-3-10(22-12)7-13(20)18-15-16-5-6-23-15/h3-6,9-12,19H,1-2,7-8H2,(H,17,21)(H,16,18,20)/t10-,11+,12+/m1/s1
InChIKeyRVRNWRREFDZYAW-WOPDTQHZSA-N
MW337.40 g/mol
LogP0.68
Rot. Bonds6

About N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide

N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide (PubChem CID 54639806) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
PubChem CID54639806
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
SMILESO=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1nccs1
InChIInChI=1S/C15H19N3O4S/c19-8-12-11(17-14(21)9-1-2-9)4-3-10(22-12)7-13(20)18-15-16-5-6-23-15/h3-6,9-12,19H,1-2,7-8H2,(H,17,21)(H,16,18,20)/t10-,11+,12+/m1/s1
InChIKeyRVRNWRREFDZYAW-WOPDTQHZSA-N
XLogP0.68
TPSA100.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]-3-piperidin-1-ylpropanamide
CID 54640922
N-[(2R,3R,6S)-6-[2-(cyclobutylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide
CID 54645502
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
CID 54645120
N-[(2R,3S,6R)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide
CID 54644837
N-[(2R,3R,6S)-6-[2-(cyclohexylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]cyclobutanecarboxamide
CID 54644839
N-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]cyclopropanecarboxamide
CID 110687201
N-[(2S,3R,6S)-6-[2-(cyclopropylmethylamino)-2-oxoethyl]-2-(hydroxymethyl)-3,6-dihydro-2H-pyran-3-yl]oxane-4-carboxamide
CID 54640925
N-[(2S,3S,6S)-2-(hydroxymethyl)-6-[2-(3-morpholin-4-ylpropylamino)-2-oxoethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide
CID 54644891
N-[3-oxo-3-(1,3-thiazol-2-ylamino)propyl]cyclohexanecarboxamide
CID 50875911
3-fluoro-N-[(2S,3R,6R)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]oxan-3-yl]benzamide
CID 54640485
2-(3,5-dioxopyrazolidin-4-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 110703373
3-oxo-N-(1,3-thiazol-2-yl)pentanamide
CID 59660018

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide (CID 54639806) is N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide is O=C(C[C@H]1C=C[C@H](NC(=O)C2CC2)[C@H](CO)O1)Nc1nccs1.
What is the InChIKey of N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide?
The InChIKey is RVRNWRREFDZYAW-WOPDTQHZSA-N. The full InChI is InChI=1S/C15H19N3O4S/c19-8-12-11(17-14(21)9-1-2-9)4-3-10(22-12)7-13(20)18-15-16-5-6-23-15/h3-6,9-12,19H,1-2,7-8H2,(H,17,21)(H,16,18,20)/t10-,11+,12+/m1/s1.
What are the key properties of N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide?
N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide has a molecular weight of 337.40 g/mol, XLogP of 0.68, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,6S)-2-(hydroxymethyl)-6-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-3,6-dihydro-2H-pyran-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 54639806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).