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

C16H26N2O2S — CID 126780011

IUPACN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCc1nc(C(C)(C)C)cs1)C1CCOCC1
InChIInChI=1S/C16H26N2O2S/c1-11(12-5-7-20-8-6-12)15(19)17-9-14-18-13(10-21-14)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,17,19)
InChIKeyIJJPZRADOKHNFL-UHFFFAOYSA-N
MW310.46 g/mol
LogP3.12
Rot. Bonds4

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

N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide (PubChem CID 126780011) has the molecular formula C16H26N2O2S and a molecular weight of 310.46 g/mol. Its IUPAC name is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide.

Molecular Properties

Compound NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
PubChem CID126780011
Molecular FormulaC16H26N2O2S
Molecular Weight310.46 g/mol
Exact Mass310.17
IUPAC NameN-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide
SMILESCC(C(=O)NCc1nc(C(C)(C)C)cs1)C1CCOCC1
InChIInChI=1S/C16H26N2O2S/c1-11(12-5-7-20-8-6-12)15(19)17-9-14-18-13(10-21-14)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,17,19)
InChIKeyIJJPZRADOKHNFL-UHFFFAOYSA-N
XLogP3.12
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.46
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-tert-butyl-1,3-thiazol-2-yl)ethyl]-2-(oxan-4-yl)propanamide
CID 126795411
2-amino-2-(oxan-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]acetamide
CID 120793994
2-cyclopentyl-N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]propanamide
CID 110355326
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-4,4-difluorocyclohexane-1-carboxamide
CID 126792438
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-piperidin-4-ylbutanamide;dihydrochloride
CID 119878891
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-methylpropan-1-amine
CID 62922160
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119878911
(4R)-N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2,7-dioxo-1,3-diazepane-4-carboxamide
CID 125170845
2-(oxan-4-yl)-N-(pyridin-3-ylmethyl)propanamide
CID 91918211
2-methyl-3-oxo-3-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methylamino]propanoic acid
CID 122065646
1-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-3-[(1-hydroxycyclohexyl)methyl]urea
CID 111104396
2-[[3-(oxan-4-yl)propanoylamino]methyl]-1,3-thiazole-4-carboxylic acid
CID 127597082

Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide?
The IUPAC name of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide (CID 126780011) is N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide.
What is the SMILES notation for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide?
The canonical SMILES for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide is CC(C(=O)NCc1nc(C(C)(C)C)cs1)C1CCOCC1.
What is the InChIKey of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide?
The InChIKey is IJJPZRADOKHNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2S/c1-11(12-5-7-20-8-6-12)15(19)17-9-14-18-13(10-21-14)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,17,19).
What are the key properties of N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide?
N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide has a molecular weight of 310.46 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]-2-(oxan-4-yl)propanamide is sourced from PubChem (CID 126780011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).