N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

C18H29FN4O2S — CID 172695787

IUPACN'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCCN(NC(=O)c1nc(C2(F)CCC2)sc1N1CCOCC1)C(C)(C)C
InChIInChI=1S/C18H29FN4O2S/c1-5-23(17(2,3)4)21-14(24)13-15(22-9-11-25-12-10-22)26-16(20-13)18(19)7-6-8-18/h5-12H2,1-4H3,(H,21,24)
InChIKeyCHLRCDLVBAKGHQ-UHFFFAOYSA-N
MW384.52 g/mol
LogP3.09
Rot. Bonds5

About N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide

N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (PubChem CID 172695787) has the molecular formula C18H29FN4O2S and a molecular weight of 384.52 g/mol. Its IUPAC name is N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
PubChem CID172695787
Molecular FormulaC18H29FN4O2S
Molecular Weight384.52 g/mol
Exact Mass384.20
IUPAC NameN'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
SMILESCCN(NC(=O)c1nc(C2(F)CCC2)sc1N1CCOCC1)C(C)(C)C
InChIInChI=1S/C18H29FN4O2S/c1-5-23(17(2,3)4)21-14(24)13-15(22-9-11-25-12-10-22)26-16(20-13)18(19)7-6-8-18/h5-12H2,1-4H3,(H,21,24)
InChIKeyCHLRCDLVBAKGHQ-UHFFFAOYSA-N
XLogP3.09
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.52
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
ethyl N-tert-butyl-N-[[2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbonyl]amino]carbamate
CID 126482801
2-(1-fluorocyclobutyl)-N-methyl-5-morpholin-4-yl-1,3-thiazole-4-carboxamide
CID 126498065
5-Morpholin-4-yl-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 137355678
Ethane;5-(3-oxomorpholin-4-yl)-2-(trifluoromethyl)-1,3-thiazole-4-carbohydrazide
CID 142553274
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
2-Cyclopropyl-5-(4-morpholinyl)-4-thiazolecarboxylic acid hydrazide
CID 137355568

Frequently Asked Questions

What is the IUPAC name of N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The IUPAC name of N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide (CID 172695787) is N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide.
What is the SMILES notation for N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The canonical SMILES for N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is CCN(NC(=O)c1nc(C2(F)CCC2)sc1N1CCOCC1)C(C)(C)C.
What is the InChIKey of N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
The InChIKey is CHLRCDLVBAKGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29FN4O2S/c1-5-23(17(2,3)4)21-14(24)13-15(22-9-11-25-12-10-22)26-16(20-13)18(19)7-6-8-18/h5-12H2,1-4H3,(H,21,24).
What are the key properties of N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide?
N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide has a molecular weight of 384.52 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-N'-ethyl-2-(1-fluorocyclobutyl)-5-morpholin-4-yl-1,3-thiazole-4-carbohydrazide is sourced from PubChem (CID 172695787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).