N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide

C23H23FN2O2S — CID 11959747

IUPACN-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)CC2(COc3ccc(F)cc3)CC2)c(-c2ccccc2)s1
InChIInChI=1S/C23H23FN2O2S/c1-16-25-20(21(29-16)17-6-4-3-5-7-17)22(27)26(2)14-23(12-13-23)15-28-19-10-8-18(24)9-11-19/h3-11H,12-15H2,1-2H3
InChIKeyYUIMHECMSLOWFW-UHFFFAOYSA-N
MW410.51 g/mol
LogP5.19
Rot. Bonds7

About N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide

N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 11959747) has the molecular formula C23H23FN2O2S and a molecular weight of 410.51 g/mol. Its IUPAC name is N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID11959747
Molecular FormulaC23H23FN2O2S
Molecular Weight410.51 g/mol
Exact Mass410.15
IUPAC NameN-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(C)CC2(COc3ccc(F)cc3)CC2)c(-c2ccccc2)s1
InChIInChI=1S/C23H23FN2O2S/c1-16-25-20(21(29-16)17-6-4-3-5-7-17)22(27)26(2)14-23(12-13-23)15-28-19-10-8-18(24)9-11-19/h3-11H,12-15H2,1-2H3
InChIKeyYUIMHECMSLOWFW-UHFFFAOYSA-N
XLogP5.19
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.51
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 11959747) is N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(C)CC2(COc3ccc(F)cc3)CC2)c(-c2ccccc2)s1.
What is the InChIKey of N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is YUIMHECMSLOWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O2S/c1-16-25-20(21(29-16)17-6-4-3-5-7-17)22(27)26(2)14-23(12-13-23)15-28-19-10-8-18(24)9-11-19/h3-11H,12-15H2,1-2H3.
What are the key properties of N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 410.51 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(4-fluorophenoxy)methyl]cyclopropyl]methyl]-N,2-dimethyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11959747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).