2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide

C15H22N2O4S — CID 122158795

IUPAC2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCC1(CNC(=O)c2cnc(C3OCCO3)s2)CCOCC1
InChIInChI=1S/C15H22N2O4S/c1-2-15(3-5-19-6-4-15)10-17-12(18)11-9-16-13(22-11)14-20-7-8-21-14/h9,14H,2-8,10H2,1H3,(H,17,18)
InChIKeyKNRZXJKKIVGXCH-UHFFFAOYSA-N
MW326.42 g/mol
LogP2.13
Rot. Bonds5

About 2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide

2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 122158795) has the molecular formula C15H22N2O4S and a molecular weight of 326.42 g/mol. Its IUPAC name is 2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID122158795
Molecular FormulaC15H22N2O4S
Molecular Weight326.42 g/mol
Exact Mass326.13
IUPAC Name2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCC1(CNC(=O)c2cnc(C3OCCO3)s2)CCOCC1
InChIInChI=1S/C15H22N2O4S/c1-2-15(3-5-19-6-4-15)10-17-12(18)11-9-16-13(22-11)14-20-7-8-21-14/h9,14H,2-8,10H2,1H3,(H,17,18)
InChIKeyKNRZXJKKIVGXCH-UHFFFAOYSA-N
XLogP2.13
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

N-[(4-hydroxyoxan-4-yl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 103712065
N-[5-(dimethylamino)-2-methylpentan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide
CID 122154912
N-[(2R)-1-anilino-1-oxopropan-2-yl]-2-(1,3-dioxolan-2-yl)-1,3-thiazole-5-carboxamide
CID 124844934
2-tert-butyl-N-[[4-(4-fluorophenyl)oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 47727483
2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 111331213
N-[(1-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-5-carboxamide
CID 113240320
2-[[2-(oxolan-2-yl)-1,3-thiazole-5-carbonyl]amino]acetic acid
CID 120513587
1-[[(2-methyl-1,3-thiazole-5-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 103791308
2-chloro-N-ethyl-1,3-thiazole-5-carboxamide
CID 170344916
5-methyl-N-[[4-(pyrrolidin-1-ylmethyl)oxan-4-yl]methyl]thiophene-2-carboxamide
CID 91957741
2-ethyl-N-[[4-[3-(trifluoromethyl)phenyl]oxan-4-yl]methyl]-1,3-thiazole-5-carboxamide
CID 48579909
N-[(1-ethylcyclobutyl)methyl]thiophene-2-carboxamide
CID 103741423

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide (CID 122158795) is 2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide is CCC1(CNC(=O)c2cnc(C3OCCO3)s2)CCOCC1.
What is the InChIKey of 2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is KNRZXJKKIVGXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4S/c1-2-15(3-5-19-6-4-15)10-17-12(18)11-9-16-13(22-11)14-20-7-8-21-14/h9,14H,2-8,10H2,1H3,(H,17,18).
What are the key properties of 2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide?
2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 326.42 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxolan-2-yl)-N-[(4-ethyloxan-4-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 122158795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).