2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

C13H20N2O2S — CID 47398499

IUPAC2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)12-15-8-10(18-12)11(16)14-7-9-5-4-6-17-9/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyPLGGTWWJEUFFEL-UHFFFAOYSA-N
MW268.38 g/mol
LogP2.35
Rot. Bonds3

About 2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide

2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (PubChem CID 47398499) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is 2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
PubChem CID47398499
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC Name2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCC2CCCO2)s1
InChIInChI=1S/C13H20N2O2S/c1-13(2,3)12-15-8-10(18-12)11(16)14-7-9-5-4-6-17-9/h8-9H,4-7H2,1-3H3,(H,14,16)
InChIKeyPLGGTWWJEUFFEL-UHFFFAOYSA-N
XLogP2.35
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 82171903
4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 25402358
4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide
CID 17174245
N-(oxolan-2-ylmethyl)-2-(oxolan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109252326
4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 17173841
2-methyl-N-(oxolan-2-ylmethyl)-1,3-oxazole-5-carboxamide
CID 110702157
2-tert-butyl-N-[(1-hydroxycyclopentyl)methyl]-1,3-thiazole-5-carboxamide
CID 111331213
5-(aminomethyl)-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 82171991
5-(ethylamino)-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80618770
N-(oxolan-2-ylmethyl)-6-(oxolan-2-ylmethylamino)pyridine-3-carboxamide
CID 109153510
4-N-(4-tert-butylphenyl)-1-N-(oxolan-2-ylmethyl)benzene-1,4-dicarboxamide
CID 109045641
1-tert-butyl-5-methyl-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 42818036

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide (CID 47398499) is 2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCC2CCCO2)s1.
What is the InChIKey of 2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PLGGTWWJEUFFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-13(2,3)12-15-8-10(18-12)11(16)14-7-9-5-4-6-17-9/h8-9H,4-7H2,1-3H3,(H,14,16).
What are the key properties of 2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide has a molecular weight of 268.38 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(oxolan-2-ylmethyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47398499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).