N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide

C15H18N2O2S — CID 63295180

IUPACN-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)C1CC1)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C15H18N2O2S/c18-13(10-6-7-10)8-16-14(19)12-9-20-15(17-12)11-4-2-1-3-5-11/h1-5,10,12-13,18H,6-9H2,(H,16,19)
InChIKeyZZOYTAMOZPZDNO-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.44
Rot. Bonds5

About N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide

N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide (PubChem CID 63295180) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
PubChem CID63295180
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC NameN-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide
SMILESO=C(NCC(O)C1CC1)C1CSC(c2ccccc2)=N1
InChIInChI=1S/C15H18N2O2S/c18-13(10-6-7-10)8-16-14(19)12-9-20-15(17-12)11-4-2-1-3-5-11/h1-5,10,12-13,18H,6-9H2,(H,16,19)
InChIKeyZZOYTAMOZPZDNO-UHFFFAOYSA-N
XLogP1.44
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide (CID 63295180) is N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide is O=C(NCC(O)C1CC1)C1CSC(c2ccccc2)=N1.
What is the InChIKey of N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
The InChIKey is ZZOYTAMOZPZDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c18-13(10-6-7-10)8-16-14(19)12-9-20-15(17-12)11-4-2-1-3-5-11/h1-5,10,12-13,18H,6-9H2,(H,16,19).
What are the key properties of N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide?
N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-2-hydroxyethyl)-2-phenyl-4,5-dihydro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 63295180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).