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

C9H14N2O2S — CID 103855558

IUPACN-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CCCO)C(=O)c1cncs1
InChIInChI=1S/C9H14N2O2S/c1-2-11(4-3-5-12)9(13)8-6-10-7-14-8/h6-7,12H,2-5H2,1H3
InChIKeyBUGVNBQZMYCBAC-UHFFFAOYSA-N
MW214.29 g/mol
LogP0.99
Rot. Bonds5

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

N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide (PubChem CID 103855558) has the molecular formula C9H14N2O2S and a molecular weight of 214.29 g/mol. Its IUPAC name is N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide
PubChem CID103855558
Molecular FormulaC9H14N2O2S
Molecular Weight214.29 g/mol
Exact Mass214.08
IUPAC NameN-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide
SMILESCCN(CCCO)C(=O)c1cncs1
InChIInChI=1S/C9H14N2O2S/c1-2-11(4-3-5-12)9(13)8-6-10-7-14-8/h6-7,12H,2-5H2,1H3
InChIKeyBUGVNBQZMYCBAC-UHFFFAOYSA-N
XLogP0.99
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide (CID 103855558) is N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide is CCN(CCCO)C(=O)c1cncs1.
What is the InChIKey of N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
The InChIKey is BUGVNBQZMYCBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2S/c1-2-11(4-3-5-12)9(13)8-6-10-7-14-8/h6-7,12H,2-5H2,1H3.
What are the key properties of N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide?
N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide has a molecular weight of 214.29 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(3-hydroxypropyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 103855558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).