N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide

C10H14N2O2S — CID 102684545

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(CCO)C1CCC1
InChIInChI=1S/C10H14N2O2S/c13-5-4-12(8-2-1-3-8)10(14)9-6-15-7-11-9/h6-8,13H,1-5H2
InChIKeyBDHYTLMGNYRYJP-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.13
Rot. Bonds4

About N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide

N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 102684545) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID102684545
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
SMILESO=C(c1cscn1)N(CCO)C1CCC1
InChIInChI=1S/C10H14N2O2S/c13-5-4-12(8-2-1-3-8)10(14)9-6-15-7-11-9/h6-8,13H,1-5H2
InChIKeyBDHYTLMGNYRYJP-UHFFFAOYSA-N
XLogP1.13
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide (CID 102684545) is N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide is O=C(c1cscn1)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is BDHYTLMGNYRYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-5-4-12(8-2-1-3-8)10(14)9-6-15-7-11-9/h6-8,13H,1-5H2.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 102684545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).