ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate

C19H29FN4O4S — CID 126482801

IUPACethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate
SMILESCCOC(=O)N(NC(=O)c1nc(C2(F)CCC2)sc1N1CCOCC1)C(C)(C)C
InChIInChI=1S/C19H29FN4O4S/c1-5-28-17(26)24(18(2,3)4)22-14(25)13-15(23-9-11-27-12-10-23)29-16(21-13)19(20)7-6-8-19/h5-12H2,1-4H3,(H,22,25)
InChIKeyOQZNKEBTEDULPO-UHFFFAOYSA-N
MW428.53 g/mol
LogP3.23
Rot. Bonds4

About ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate

ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate (PubChem CID 126482801) has the molecular formula C19H29FN4O4S and a molecular weight of 428.53 g/mol. Its IUPAC name is ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate.

Molecular Properties

Compound Nameethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate
PubChem CID126482801
Molecular FormulaC19H29FN4O4S
Molecular Weight428.53 g/mol
Exact Mass428.19
IUPAC Nameethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate
SMILESCCOC(=O)N(NC(=O)c1nc(C2(F)CCC2)sc1N1CCOCC1)C(C)(C)C
InChIInChI=1S/C19H29FN4O4S/c1-5-28-17(26)24(18(2,3)4)22-14(25)13-15(23-9-11-27-12-10-23)29-16(21-13)19(20)7-6-8-19/h5-12H2,1-4H3,(H,22,25)
InChIKeyOQZNKEBTEDULPO-UHFFFAOYSA-N
XLogP3.23
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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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
2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 126498065
tert-butyl N-[[5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 134461702
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
tert-butyl N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482675
tert-butyl N-ethyl-N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482835
ethyl N-tert-butyl-N-[[5-morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482836
5-Morpholin-4-yl-2-(2-morpholin-4-ylpropan-2-yl)-1,3-thiazole-4-carbohydrazide
CID 126483057

Frequently Asked Questions

What is the IUPAC name of ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate?
The IUPAC name of ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate (CID 126482801) is ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate.
What is the SMILES notation for ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate?
The canonical SMILES for ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate is CCOC(=O)N(NC(=O)c1nc(C2(F)CCC2)sc1N1CCOCC1)C(C)(C)C.
What is the InChIKey of ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate?
The InChIKey is OQZNKEBTEDULPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29FN4O4S/c1-5-28-17(26)24(18(2,3)4)22-14(25)13-15(23-9-11-27-12-10-23)29-16(21-13)19(20)7-6-8-19/h5-12H2,1-4H3,(H,22,25).
What are the key properties of ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate?
ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate has a molecular weight of 428.53 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate is sourced from PubChem (CID 126482801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).