2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide

C14H24N2O2S — CID 109381044

IUPAC2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCC(C)(C)C(O)C(C)C)s1
InChIInChI=1S/C14H24N2O2S/c1-6-11-15-7-10(19-11)13(18)16-8-14(4,5)12(17)9(2)3/h7,9,12,17H,6,8H2,1-5H3,(H,16,18)
InChIKeyPNYXFNVOUUYFQX-UHFFFAOYSA-N
MW284.43 g/mol
LogP2.48
Rot. Bonds6

About 2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide

2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide (PubChem CID 109381044) has the molecular formula C14H24N2O2S and a molecular weight of 284.43 g/mol. Its IUPAC name is 2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide
PubChem CID109381044
Molecular FormulaC14H24N2O2S
Molecular Weight284.43 g/mol
Exact Mass284.16
IUPAC Name2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCC(C)(C)C(O)C(C)C)s1
InChIInChI=1S/C14H24N2O2S/c1-6-11-15-7-10(19-11)13(18)16-8-14(4,5)12(17)9(2)3/h7,9,12,17H,6,8H2,1-5H3,(H,16,18)
InChIKeyPNYXFNVOUUYFQX-UHFFFAOYSA-N
XLogP2.48
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.43
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide
CID 110907781
2-ethyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111433740
2-ethyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 48571573
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-propyl-1,3-thiazole-5-carboxamide
CID 111463024
1-[2-(2-ethyl-1,3-thiazol-4-yl)ethyl]-3-(3-hydroxy-2,2,4-trimethylpentyl)urea
CID 109389950
2-ethyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47426169
N-[(4-chlorophenyl)methyl]-2-ethyl-1,3-thiazole-5-carboxamide
CID 48571043
2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47426643
4-acetyl-N-(3-hydroxy-2,2,4-trimethylpentyl)benzamide
CID 109380851
N-(3-hydroxy-2,2,4-trimethylpentyl)-5-methyl-1,3-oxazole-4-carboxamide
CID 109381177
1-(3-hydroxy-2,2,4-trimethylpentyl)-3-(5-methyl-1,3-thiazol-2-yl)urea
CID 109379520
2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
CID 110907802

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide (CID 109381044) is 2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCC(C)(C)C(O)C(C)C)s1.
What is the InChIKey of 2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide?
The InChIKey is PNYXFNVOUUYFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S/c1-6-11-15-7-10(19-11)13(18)16-8-14(4,5)12(17)9(2)3/h7,9,12,17H,6,8H2,1-5H3,(H,16,18).
What are the key properties of 2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide?
2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide has a molecular weight of 284.43 g/mol, XLogP of 2.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 109381044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).