(2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide

C16H20N2O4S — CID 94814555

IUPAC(2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C16H20N2O4S/c1-11(22-9-12-5-2-3-7-20-12)15(19)18-16-17-13(10-23-16)14-6-4-8-21-14/h4,6,8,10-12H,2-3,5,7,9H2,1H3,(H,17,18,19)/t11-,12+/m0/s1
InChIKeyRCAUCPPYZJRHTR-NWDGAFQWSA-N
MW336.41 g/mol
LogP3.32
Rot. Bonds6

About (2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide

(2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide (PubChem CID 94814555) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is (2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
PubChem CID94814555
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name(2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)Nc1nc(-c2ccco2)cs1
InChIInChI=1S/C16H20N2O4S/c1-11(22-9-12-5-2-3-7-20-12)15(19)18-16-17-13(10-23-16)14-6-4-8-21-14/h4,6,8,10-12H,2-3,5,7,9H2,1H3,(H,17,18,19)/t11-,12+/m0/s1
InChIKeyRCAUCPPYZJRHTR-NWDGAFQWSA-N
XLogP3.32
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide (CID 94814555) is (2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide is C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1nc(-c2ccco2)cs1.
What is the InChIKey of (2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The InChIKey is RCAUCPPYZJRHTR-NWDGAFQWSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11(22-9-12-5-2-3-7-20-12)15(19)18-16-17-13(10-23-16)14-6-4-8-21-14/h4,6,8,10-12H,2-3,5,7,9H2,1H3,(H,17,18,19)/t11-,12+/m0/s1.
What are the key properties of (2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
(2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide has a molecular weight of 336.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[4-(furan-2-yl)-1,3-thiazol-2-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 94814555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).