N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

C19H24FN3O2S — CID 78862807

IUPACN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC1CN(CCCNC(=O)c2csc(-c3ccc(F)cc3)n2)CC(C)O1
InChIInChI=1S/C19H24FN3O2S/c1-13-10-23(11-14(2)25-13)9-3-8-21-18(24)17-12-26-19(22-17)15-4-6-16(20)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3,(H,21,24)
InChIKeyJBTRGSHSWUKWKM-UHFFFAOYSA-N
MW377.49 g/mol
LogP3.18
Rot. Bonds6

About N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide

N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (PubChem CID 78862807) has the molecular formula C19H24FN3O2S and a molecular weight of 377.49 g/mol. Its IUPAC name is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
PubChem CID78862807
Molecular FormulaC19H24FN3O2S
Molecular Weight377.49 g/mol
Exact Mass377.16
IUPAC NameN-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide
SMILESCC1CN(CCCNC(=O)c2csc(-c3ccc(F)cc3)n2)CC(C)O1
InChIInChI=1S/C19H24FN3O2S/c1-13-10-23(11-14(2)25-13)9-3-8-21-18(24)17-12-26-19(22-17)15-4-6-16(20)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3,(H,21,24)
InChIKeyJBTRGSHSWUKWKM-UHFFFAOYSA-N
XLogP3.18
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide (CID 78862807) is N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is CC1CN(CCCNC(=O)c2csc(-c3ccc(F)cc3)n2)CC(C)O1.
What is the InChIKey of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is JBTRGSHSWUKWKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2S/c1-13-10-23(11-14(2)25-13)9-3-8-21-18(24)17-12-26-19(22-17)15-4-6-16(20)7-5-15/h4-7,12-14H,3,8-11H2,1-2H3,(H,21,24).
What are the key properties of N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide?
N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 377.49 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-(4-fluorophenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 78862807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).