N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide

C25H27FN2O4S — CID 67231165

IUPACN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(O)CN(CC2CC2)C(=O)c2sc(C)nc2-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C25H27FN2O4S/c1-15-27-23(17-6-9-19(26)10-7-17)24(33-15)25(30)28(13-16-4-5-16)14-20(29)18-8-11-21(31-2)22(12-18)32-3/h6-12,16,20,29H,4-5,13-14H2,1-3H3
InChIKeyNAZSUAZKTMJMGE-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.86
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide

N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide (PubChem CID 67231165) has the molecular formula C25H27FN2O4S and a molecular weight of 470.57 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
PubChem CID67231165
Molecular FormulaC25H27FN2O4S
Molecular Weight470.57 g/mol
Exact Mass470.17
IUPAC NameN-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide
SMILESCOc1ccc(C(O)CN(CC2CC2)C(=O)c2sc(C)nc2-c2ccc(F)cc2)cc1OC
InChIInChI=1S/C25H27FN2O4S/c1-15-27-23(17-6-9-19(26)10-7-17)24(33-15)25(30)28(13-16-4-5-16)14-20(29)18-8-11-21(31-2)22(12-18)32-3/h6-12,16,20,29H,4-5,13-14H2,1-3H3
InChIKeyNAZSUAZKTMJMGE-UHFFFAOYSA-N
XLogP4.86
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-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-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide (CID 67231165) is N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide is COc1ccc(C(O)CN(CC2CC2)C(=O)c2sc(C)nc2-c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is NAZSUAZKTMJMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN2O4S/c1-15-27-23(17-6-9-19(26)10-7-17)24(33-15)25(30)28(13-16-4-5-16)14-20(29)18-8-11-21(31-2)22(12-18)32-3/h6-12,16,20,29H,4-5,13-14H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide?
N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.86, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-4-(4-fluorophenyl)-2-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 67231165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).