3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide

C18H23N3O3S — CID 91761236

IUPAC3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
SMILESNc1nc(CCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cs1
InChIInChI=1S/C18H23N3O3S/c19-18-20-14(12-25-18)6-7-17(22)21-15-8-9-23-11-16(15)24-10-13-4-2-1-3-5-13/h1-5,12,15-16H,6-11H2,(H2,19,20)(H,21,22)/t15-,16-/m1/s1
InChIKeyANYZAPIEUCDASJ-HZPDHXFCSA-N
MW361.47 g/mol
LogP2.15
Rot. Bonds7

About 3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide

3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide (PubChem CID 91761236) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide.

Molecular Properties

Compound Name3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
PubChem CID91761236
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
SMILESNc1nc(CCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cs1
InChIInChI=1S/C18H23N3O3S/c19-18-20-14(12-25-18)6-7-17(22)21-15-8-9-23-11-16(15)24-10-13-4-2-1-3-5-13/h1-5,12,15-16H,6-11H2,(H2,19,20)(H,21,22)/t15-,16-/m1/s1
InChIKeyANYZAPIEUCDASJ-HZPDHXFCSA-N
XLogP2.15
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide with MolForge

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Related Compounds

N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-thiophen-2-ylacetamide
CID 91771876
3-(3-chloro-1,2-oxazol-5-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91790407
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-3-piperidin-1-ylpropanamide
CID 91766954
2-(methanesulfonamido)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91782131
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-pyrazin-2-ylacetamide
CID 91792659
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-4-pyrazolidin-4-ylbutanamide
CID 133268380
2-(2-methylphenyl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]acetamide
CID 91760467
3-(2-oxopiperidin-1-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91793611
3-(oxazinan-2-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide
CID 91795731
N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-2-piperidin-1-ylacetamide
CID 91786681
N-(3-phenylmethoxyoxan-4-yl)pyrazine-2-carboxamide
CID 156609821
3-methyl-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]-1,2-oxazole-5-carboxamide
CID 91775648

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide?
The IUPAC name of 3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide (CID 91761236) is 3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide.
What is the SMILES notation for 3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide?
The canonical SMILES for 3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide is Nc1nc(CCC(=O)N[C@@H]2CCOC[C@H]2OCc2ccccc2)cs1.
What is the InChIKey of 3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide?
The InChIKey is ANYZAPIEUCDASJ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H23N3O3S/c19-18-20-14(12-25-18)6-7-17(22)21-15-8-9-23-11-16(15)24-10-13-4-2-1-3-5-13/h1-5,12,15-16H,6-11H2,(H2,19,20)(H,21,22)/t15-,16-/m1/s1.
What are the key properties of 3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide?
3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide has a molecular weight of 361.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-1,3-thiazol-4-yl)-N-[(3S,4R)-3-phenylmethoxyoxan-4-yl]propanamide is sourced from PubChem (CID 91761236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).