2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide

C9H14N2O2S — CID 110907781

IUPAC2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCC(C)O)s1
InChIInChI=1S/C9H14N2O2S/c1-3-8-10-5-7(14-8)9(13)11-4-6(2)12/h5-6,12H,3-4H2,1-2H3,(H,11,13)
InChIKeyKCECJAKZMCJLAY-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.82
Rot. Bonds4

About 2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide

2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 110907781) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID110907781
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC Name2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESCCc1ncc(C(=O)NCC(C)O)s1
InChIInChI=1S/C9H14N2O2S/c1-3-8-10-5-7(14-8)9(13)11-4-6(2)12/h5-6,12H,3-4H2,1-2H3,(H,11,13)
InChIKeyKCECJAKZMCJLAY-UHFFFAOYSA-N
XLogP0.82
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-N-(3-hydroxybutyl)-1,3-thiazole-5-carboxamide
CID 111433740
2-ethyl-N-(3-hydroxy-2,2,4-trimethylpentyl)-1,3-thiazole-5-carboxamide
CID 109381044
N-[(2R)-2-(ethylamino)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 120650729
2-ethyl-N-[(2S)-2-hydroxy-2-(4-nitrophenyl)ethyl]-1,3-thiazole-5-carboxamide
CID 96997209
2-ethyl-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-1,3-thiazole-5-carboxamide
CID 110907802
5-ethyl-N-[(2R)-2-hydroxypropyl]thiophene-2-carboxamide
CID 83031120
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-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 48571573
2-ethyl-N-[(4-hydroxythian-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 111485009
2-ethyl-N-[2-(furan-3-carbonylamino)ethyl]-1,3-thiazole-5-carboxamide
CID 47426643
2-ethyl-N-[2-(N-methylanilino)ethyl]-1,3-thiazole-5-carboxamide
CID 48574128

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide (CID 110907781) is 2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide is CCc1ncc(C(=O)NCC(C)O)s1.
What is the InChIKey of 2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is KCECJAKZMCJLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-3-8-10-5-7(14-8)9(13)11-4-6(2)12/h5-6,12H,3-4H2,1-2H3,(H,11,13).
What are the key properties of 2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide?
2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-(2-hydroxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110907781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).