N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide

C23H24FN3O2S — CID 11960322

IUPACN-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCCOc2ccc(F)cc2)C2CCC2)c(-c2cccnc2)s1
InChIInChI=1S/C23H24FN3O2S/c1-16-26-21(22(30-16)17-5-3-12-25-15-17)23(28)27(19-6-2-7-19)13-4-14-29-20-10-8-18(24)9-11-20/h3,5,8-12,15,19H,2,4,6-7,13-14H2,1H3
InChIKeyCMTTYBNWMSADEB-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.12
Rot. Bonds8

About N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide

N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 11960322) has the molecular formula C23H24FN3O2S and a molecular weight of 425.53 g/mol. Its IUPAC name is N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
PubChem CID11960322
Molecular FormulaC23H24FN3O2S
Molecular Weight425.53 g/mol
Exact Mass425.16
IUPAC NameN-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCCOc2ccc(F)cc2)C2CCC2)c(-c2cccnc2)s1
InChIInChI=1S/C23H24FN3O2S/c1-16-26-21(22(30-16)17-5-3-12-25-15-17)23(28)27(19-6-2-7-19)13-4-14-29-20-10-8-18(24)9-11-20/h3,5,8-12,15,19H,2,4,6-7,13-14H2,1H3
InChIKeyCMTTYBNWMSADEB-UHFFFAOYSA-N
XLogP5.12
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-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-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide (CID 11960322) is N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(CCCOc2ccc(F)cc2)C2CCC2)c(-c2cccnc2)s1.
What is the InChIKey of N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is CMTTYBNWMSADEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S/c1-16-26-21(22(30-16)17-5-3-12-25-15-17)23(28)27(19-6-2-7-19)13-4-14-29-20-10-8-18(24)9-11-20/h3,5,8-12,15,19H,2,4,6-7,13-14H2,1H3.
What are the key properties of N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide?
N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 425.53 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-pyridin-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11960322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).