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

C24H25FN2O2S — CID 11960931

IUPACN-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCCOc2ccc(F)cc2)CC2CC2)c(-c2ccccc2)s1
InChIInChI=1S/C24H25FN2O2S/c1-17-26-22(23(30-17)19-6-3-2-4-7-19)24(28)27(16-18-8-9-18)14-5-15-29-21-12-10-20(25)11-13-21/h2-4,6-7,10-13,18H,5,8-9,14-16H2,1H3
InChIKeyNXMDCNQWEWLFEX-UHFFFAOYSA-N
MW424.54 g/mol
LogP5.58
Rot. Bonds9

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

N-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 11960931) has the molecular formula C24H25FN2O2S and a molecular weight of 424.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
PubChem CID11960931
Molecular FormulaC24H25FN2O2S
Molecular Weight424.54 g/mol
Exact Mass424.16
IUPAC NameN-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide
SMILESCc1nc(C(=O)N(CCCOc2ccc(F)cc2)CC2CC2)c(-c2ccccc2)s1
InChIInChI=1S/C24H25FN2O2S/c1-17-26-22(23(30-17)19-6-3-2-4-7-19)24(28)27(16-18-8-9-18)14-5-15-29-21-12-10-20(25)11-13-21/h2-4,6-7,10-13,18H,5,8-9,14-16H2,1H3
InChIKeyNXMDCNQWEWLFEX-UHFFFAOYSA-N
XLogP5.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.54
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide (CID 11960931) is N-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is Cc1nc(C(=O)N(CCCOc2ccc(F)cc2)CC2CC2)c(-c2ccccc2)s1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is NXMDCNQWEWLFEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN2O2S/c1-17-26-22(23(30-17)19-6-3-2-4-7-19)24(28)27(16-18-8-9-18)14-5-15-29-21-12-10-20(25)11-13-21/h2-4,6-7,10-13,18H,5,8-9,14-16H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 424.54 g/mol, XLogP of 5.58, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[3-(4-fluorophenoxy)propyl]-2-methyl-5-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 11960931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).