N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide

C18H23N3O2S — CID 96539984

IUPACN-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](NC1(CNC(=O)c2cscn2)CCOCC1)c1ccccc1
InChIInChI=1S/C18H23N3O2S/c1-14(15-5-3-2-4-6-15)21-18(7-9-23-10-8-18)12-19-17(22)16-11-24-13-20-16/h2-6,11,13-14,21H,7-10,12H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyUTKCNWXUVRTRQP-CQSZACIVSA-N
MW345.47 g/mol
LogP2.77
Rot. Bonds6

About N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide

N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide (PubChem CID 96539984) has the molecular formula C18H23N3O2S and a molecular weight of 345.47 g/mol. Its IUPAC name is N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
PubChem CID96539984
Molecular FormulaC18H23N3O2S
Molecular Weight345.47 g/mol
Exact Mass345.15
IUPAC NameN-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide
SMILESC[C@@H](NC1(CNC(=O)c2cscn2)CCOCC1)c1ccccc1
InChIInChI=1S/C18H23N3O2S/c1-14(15-5-3-2-4-6-15)21-18(7-9-23-10-8-18)12-19-17(22)16-11-24-13-20-16/h2-6,11,13-14,21H,7-10,12H2,1H3,(H,19,22)/t14-/m1/s1
InChIKeyUTKCNWXUVRTRQP-CQSZACIVSA-N
XLogP2.77
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide with MolForge

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Related Compounds

N-[[4-[[(1S)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
CID 96540062
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]thiophene-3-carboxamide
CID 96540063
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-2H-triazole-4-carboxamide
CID 96539972
(2R)-2-amino-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]propanamide;dihydrochloride
CID 119888303
5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]-1-benzofuran-2-carboxamide
CID 75463887
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide
CID 119884554
2-(aminomethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119884553
2-(2-aminoethyl)-N-[[1-(1-phenylethylamino)cyclopentyl]methyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 120646720
5-methyl-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 75463886
4-(aminomethyl)-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 95241594
N-[(3-methoxyoxolan-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 104708938
5-bromo-N-[[4-(1-phenylethylamino)oxan-4-yl]methyl]pyridin-2-amine
CID 133345750

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide (CID 96539984) is N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide is C[C@@H](NC1(CNC(=O)c2cscn2)CCOCC1)c1ccccc1.
What is the InChIKey of N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is UTKCNWXUVRTRQP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23N3O2S/c1-14(15-5-3-2-4-6-15)21-18(7-9-23-10-8-18)12-19-17(22)16-11-24-13-20-16/h2-6,11,13-14,21H,7-10,12H2,1H3,(H,19,22)/t14-/m1/s1.
What are the key properties of N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide?
N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 345.47 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(1R)-1-phenylethyl]amino]oxan-4-yl]methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 96539984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).