2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide

C13H18FN3O2S — CID 126498065

IUPAC2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1nc(C2(F)CCC2)sc1N1CCOCC1
InChIInChI=1S/C13H18FN3O2S/c1-15-10(18)9-11(17-5-7-19-8-6-17)20-12(16-9)13(14)3-2-4-13/h2-8H2,1H3,(H,15,18)
InChIKeyGPCKDHFQBHNFCG-UHFFFAOYSA-N
MW299.37 g/mol
LogP1.69
Rot. Bonds3

About 2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide

2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide (PubChem CID 126498065) has the molecular formula C13H18FN3O2S and a molecular weight of 299.37 g/mol. Its IUPAC name is 2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide
PubChem CID126498065
Molecular FormulaC13H18FN3O2S
Molecular Weight299.37 g/mol
Exact Mass299.11
IUPAC Name2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide
SMILESCNC(=O)c1nc(C2(F)CCC2)sc1N1CCOCC1
InChIInChI=1S/C13H18FN3O2S/c1-15-10(18)9-11(17-5-7-19-8-6-17)20-12(16-9)13(14)3-2-4-13/h2-8H2,1H3,(H,15,18)
InChIKeyGPCKDHFQBHNFCG-UHFFFAOYSA-N
XLogP1.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482727
tert-butyl N-ethyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482800
ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482801
N-methyl-5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carboxamide
CID 126498081
N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 172695787
2-(1-Ethoxycyclobutyl)-5-morpholinothiazole-4-carbohydrazide
CID 126482426
N-methyl-5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 126498067

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide (CID 126498065) is 2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide is CNC(=O)c1nc(C2(F)CCC2)sc1N1CCOCC1.
What is the InChIKey of 2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide?
The InChIKey is GPCKDHFQBHNFCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2S/c1-15-10(18)9-11(17-5-7-19-8-6-17)20-12(16-9)13(14)3-2-4-13/h2-8H2,1H3,(H,15,18).
What are the key properties of 2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide?
2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 126498065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).