(Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one

C14H18N2O2S — CID 143695893

IUPAC(Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one
SMILESO=C(/C=C\Cc1csc(N2CCOCC2)n1)C1CC1
InChIInChI=1S/C14H18N2O2S/c17-13(11-4-5-11)3-1-2-12-10-19-14(15-12)16-6-8-18-9-7-16/h1,3,10-11H,2,4-9H2/b3-1-
InChIKeyQWYNGIXFKFFSNL-IWQZZHSRSA-N
MW278.38 g/mol
LogP2.06
Rot. Bonds5

About (Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one

(Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one (PubChem CID 143695893) has the molecular formula C14H18N2O2S and a molecular weight of 278.38 g/mol. Its IUPAC name is (Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one
PubChem CID143695893
Molecular FormulaC14H18N2O2S
Molecular Weight278.38 g/mol
Exact Mass278.11
IUPAC Name(Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one
SMILESO=C(/C=C\Cc1csc(N2CCOCC2)n1)C1CC1
InChIInChI=1S/C14H18N2O2S/c17-13(11-4-5-11)3-1-2-12-10-19-14(15-12)16-6-8-18-9-7-16/h1,3,10-11H,2,4-9H2/b3-1-
InChIKeyQWYNGIXFKFFSNL-IWQZZHSRSA-N
XLogP2.06
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one with MolForge

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Related Compounds

2-cyclohexyl-4,4-dimethyl-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)pentan-3-one
CID 70294529
N'-(cyclopropanecarbonyl)-2-morpholin-4-yl-1,3-thiazole-4-carbohydrazide
CID 17439911
cyclobutyl-[4-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]piperazin-1-yl]methanone
CID 53158631
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-4-piperidin-1-ylbutanamide
CID 72852420
5-acetyl-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]thiophene-2-carboxamide
CID 91768510
3-[(2S)-1-methylpiperidin-2-yl]-N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 97200731
3-morpholin-4-yl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,2-oxazole-5-carboxamide
CID 138384779
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol
CID 170477281
N-[4-(hydroxymethyl)-2-pyridinyl]-2-(2-morpholin-4-yl-1,3-thiazol-4-yl)acetamide
CID 154784296
N-[(2-morpholin-4-yl-1,3-thiazol-4-yl)methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 50960264
3,4-dihydroxy-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)butanamide
CID 171899934
4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 169478013

Frequently Asked Questions

What is the IUPAC name of (Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one?
The IUPAC name of (Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one (CID 143695893) is (Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one.
What is the SMILES notation for (Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one?
The canonical SMILES for (Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one is O=C(/C=C\Cc1csc(N2CCOCC2)n1)C1CC1.
What is the InChIKey of (Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one?
The InChIKey is QWYNGIXFKFFSNL-IWQZZHSRSA-N. The full InChI is InChI=1S/C14H18N2O2S/c17-13(11-4-5-11)3-1-2-12-10-19-14(15-12)16-6-8-18-9-7-16/h1,3,10-11H,2,4-9H2/b3-1-.
What are the key properties of (Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one?
(Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one has a molecular weight of 278.38 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one is sourced from PubChem (CID 143695893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).