N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide

C17H28N2O2S — CID 126795411

IUPACN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCCc1nc(C(C)(C)C)cs1)C1CCOCC1
InChIInChI=1S/C17H28N2O2S/c1-12(13-6-9-21-10-7-13)16(20)18-8-5-15-19-14(11-22-15)17(2,3)4/h11-13H,5-10H2,1-4H3,(H,18,20)
InChIKeyQUMMGCRKFMVIPR-UHFFFAOYSA-N
MW324.49 g/mol
LogP3.16
Rot. Bonds5

About N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide (PubChem CID 126795411) has the molecular formula C17H28N2O2S and a molecular weight of 324.49 g/mol. Its IUPAC name is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
PubChem CID126795411
Molecular FormulaC17H28N2O2S
Molecular Weight324.49 g/mol
Exact Mass324.19
IUPAC NameN-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCCc1nc(C(C)(C)C)cs1)C1CCOCC1
InChIInChI=1S/C17H28N2O2S/c1-12(13-6-9-21-10-7-13)16(20)18-8-5-15-19-14(11-22-15)17(2,3)4/h11-13H,5-10H2,1-4H3,(H,18,20)
InChIKeyQUMMGCRKFMVIPR-UHFFFAOYSA-N
XLogP3.16
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.49
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
CID 126780011
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-methylbutanamide
CID 120503773
2-[2-[2-(azetidin-3-yl)propanoylamino]ethyl]-1,3-thiazole-4-carboxylic acid
CID 116678321
2-amino-2-(oxan-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]acetamide
CID 120799376
3-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclohexane-1-carboxamide
CID 119878944
1-amino-N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]cyclopentane-1-carboxamide
CID 119878948
3-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1,2-dimethyl-1-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 109386450
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-[(3R)-1,1-dioxothiolan-3-yl]acetamide
CID 95598021
2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120793994
4-propan-2-yl-N-[2-[4-(trifluoromethyl)-1,3-thiazol-2-yl]ethyl]cyclohexane-1-carboxamide
CID 126770233
N-[(4-tert-butyl-1,3-thiazol-2-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 62385430
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-1-(cyclopropanecarbonyl)pyrrolidine-2-carboxamide
CID 56827253

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide (CID 126795411) is N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide is CC(C(=O)NCCc1nc(C(C)(C)C)cs1)C1CCOCC1.
What is the InChIKey of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide?
The InChIKey is QUMMGCRKFMVIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O2S/c1-12(13-6-9-21-10-7-13)16(20)18-8-5-15-19-14(11-22-15)17(2,3)4/h11-13H,5-10H2,1-4H3,(H,18,20).
What are the key properties of N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide?
N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide has a molecular weight of 324.49 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 126795411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).