(Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide

C17H18ClN3O2S — CID 95296825

IUPAC(Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESO=C(/C=C\c1cccc(Cl)c1)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C17H18ClN3O2S/c18-14-3-1-2-13(10-14)4-5-16(22)20-17-19-15(12-24-17)11-21-6-8-23-9-7-21/h1-5,10,12H,6-9,11H2,(H,19,20,22)/b5-4-
InChIKeySRKJMMCURMBHRU-PLNGDYQASA-N
MW363.87 g/mol
LogP3.28
Rot. Bonds5

About (Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide

(Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide (PubChem CID 95296825) has the molecular formula C17H18ClN3O2S and a molecular weight of 363.87 g/mol. Its IUPAC name is (Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
PubChem CID95296825
Molecular FormulaC17H18ClN3O2S
Molecular Weight363.87 g/mol
Exact Mass363.08
IUPAC Name(Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
SMILESO=C(/C=C\c1cccc(Cl)c1)Nc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C17H18ClN3O2S/c18-14-3-1-2-13(10-14)4-5-16(22)20-17-19-15(12-24-17)11-21-6-8-23-9-7-21/h1-5,10,12H,6-9,11H2,(H,19,20,22)/b5-4-
InChIKeySRKJMMCURMBHRU-PLNGDYQASA-N
XLogP3.28
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-3-(furan-2-yl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 51072840
ethyl 2-[2-[3-(3-chlorophenyl)prop-2-enoylamino]-1,3-thiazol-4-yl]acetate
CID 3351926
3-(3-chloro-5-methoxy-4-propoxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide
CID 55336049
(E)-3-(3-chlorophenyl)-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]prop-2-enamide
CID 9481219
(E)-3-(2-fluorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]but-2-enamide
CID 94649834
2-(4-chlorophenyl)sulfanyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78776000
(E)-N-[4-[[(2S,6R)-2,6-dimethylmorpholin-4-yl]methyl]-1,3-thiazol-2-yl]-3-phenylprop-2-enamide
CID 51931192
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
1-[(3,4-dichlorophenyl)methyl]-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea;hydrochloride
CID 87736854
(2R)-2-(2,4-dichlorophenoxy)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 30547645
1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclobutane-1-carboxamide
CID 78776007
1-(4-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]cyclopentane-1-carboxamide
CID 112761977

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide?
The IUPAC name of (Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide (CID 95296825) is (Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide?
The canonical SMILES for (Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide is O=C(/C=C\c1cccc(Cl)c1)Nc1nc(CN2CCOCC2)cs1.
What is the InChIKey of (Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide?
The InChIKey is SRKJMMCURMBHRU-PLNGDYQASA-N. The full InChI is InChI=1S/C17H18ClN3O2S/c18-14-3-1-2-13(10-14)4-5-16(22)20-17-19-15(12-24-17)11-21-6-8-23-9-7-21/h1-5,10,12H,6-9,11H2,(H,19,20,22)/b5-4-.
What are the key properties of (Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide?
(Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide has a molecular weight of 363.87 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-chlorophenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]prop-2-enamide is sourced from PubChem (CID 95296825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).