(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide

C18H20FN3O2S — CID 94649834

IUPAC(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide
SMILESC/C(=C\C(=O)Nc1nc(CN2CCOCC2)cs1)c1ccccc1F
InChIInChI=1S/C18H20FN3O2S/c1-13(15-4-2-3-5-16(15)19)10-17(23)21-18-20-14(12-25-18)11-22-6-8-24-9-7-22/h2-5,10,12H,6-9,11H2,1H3,(H,20,21,23)/b13-10+
InChIKeyXOTMEMZADFLSAD-JLHYYAGUSA-N
MW361.44 g/mol
LogP3.16
Rot. Bonds5

About (E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide

(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide (PubChem CID 94649834) has the molecular formula C18H20FN3O2S and a molecular weight of 361.44 g/mol. Its IUPAC name is (E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide
PubChem CID94649834
Molecular FormulaC18H20FN3O2S
Molecular Weight361.44 g/mol
Exact Mass361.13
IUPAC Name(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide
SMILESC/C(=C\C(=O)Nc1nc(CN2CCOCC2)cs1)c1ccccc1F
InChIInChI=1S/C18H20FN3O2S/c1-13(15-4-2-3-5-16(15)19)10-17(23)21-18-20-14(12-25-18)11-22-6-8-24-9-7-22/h2-5,10,12H,6-9,11H2,1H3,(H,20,21,23)/b13-10+
InChIKeyXOTMEMZADFLSAD-JLHYYAGUSA-N
XLogP3.16
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.44
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 95296825
2-methyl-N-[2-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]benzamide
CID 46525050
2-ethoxy-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]benzamide
CID 30547705
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-9H-xanthene-9-carboxamide
CID 29324285
(E)-3-(furan-2-yl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 51072840
N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]-2-prop-2-enoxybenzamide
CID 30893968
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508
2-(4-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78776000
2-(2-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 55832085
2-(4-acetyl-2-fluorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 55335910
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide?
The IUPAC name of (E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide (CID 94649834) is (E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide.
What is the SMILES notation for (E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide?
The canonical SMILES for (E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide is C/C(=C\C(=O)Nc1nc(CN2CCOCC2)cs1)c1ccccc1F.
What is the InChIKey of (E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide?
The InChIKey is XOTMEMZADFLSAD-JLHYYAGUSA-N. The full InChI is InChI=1S/C18H20FN3O2S/c1-13(15-4-2-3-5-16(15)19)10-17(23)21-18-20-14(12-25-18)11-22-6-8-24-9-7-22/h2-5,10,12H,6-9,11H2,1H3,(H,20,21,23)/b13-10+.
What are the key properties of (E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide?
(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide has a molecular weight of 361.44 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide is sourced from PubChem (CID 94649834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).