4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide

C12H18N2O3S — CID 110022380

IUPAC4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCOCCO)c1scnc1C1CC1
InChIInChI=1S/C12H18N2O3S/c15-5-7-17-6-1-4-13-12(16)11-10(9-2-3-9)14-8-18-11/h8-9,15H,1-7H2,(H,13,16)
InChIKeyGGODFJYNYHZSNB-UHFFFAOYSA-N
MW270.35 g/mol
LogP1.15
Rot. Bonds8

About 4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide

4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide (PubChem CID 110022380) has the molecular formula C12H18N2O3S and a molecular weight of 270.35 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
PubChem CID110022380
Molecular FormulaC12H18N2O3S
Molecular Weight270.35 g/mol
Exact Mass270.10
IUPAC Name4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide
SMILESO=C(NCCCOCCO)c1scnc1C1CC1
InChIInChI=1S/C12H18N2O3S/c15-5-7-17-6-1-4-13-12(16)11-10(9-2-3-9)14-8-18-11/h8-9,15H,1-7H2,(H,13,16)
InChIKeyGGODFJYNYHZSNB-UHFFFAOYSA-N
XLogP1.15
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.35
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide (CID 110022380) is 4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide is O=C(NCCCOCCO)c1scnc1C1CC1.
What is the InChIKey of 4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide?
The InChIKey is GGODFJYNYHZSNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3S/c15-5-7-17-6-1-4-13-12(16)11-10(9-2-3-9)14-8-18-11/h8-9,15H,1-7H2,(H,13,16).
What are the key properties of 4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide?
4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide has a molecular weight of 270.35 g/mol, XLogP of 1.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-N-[3-(2-hydroxyethoxy)propyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110022380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).