N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide

C10H14N2O2S — CID 104957609

IUPACN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1cncs1
InChIInChI=1S/C10H14N2O2S/c13-4-3-10(1-2-10)6-12-9(14)8-5-11-7-15-8/h5,7,13H,1-4,6H2,(H,12,14)
InChIKeyIQVKPGOXZMLLLZ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.04
Rot. Bonds5

About N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide

N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 104957609) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID104957609
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC NameN-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1cncs1
InChIInChI=1S/C10H14N2O2S/c13-4-3-10(1-2-10)6-12-9(14)8-5-11-7-15-8/h5,7,13H,1-4,6H2,(H,12,14)
InChIKeyIQVKPGOXZMLLLZ-UHFFFAOYSA-N
XLogP1.04
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide (CID 104957609) is N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide is O=C(NCC1(CCO)CC1)c1cncs1.
What is the InChIKey of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is IQVKPGOXZMLLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c13-4-3-10(1-2-10)6-12-9(14)8-5-11-7-15-8/h5,7,13H,1-4,6H2,(H,12,14).
What are the key properties of N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide?
N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 226.30 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 104957609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).