4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine

C10H13ClN2OS — CID 169478013

IUPAC4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine
SMILESClCC=Cc1csc(N2CCOCC2)n1
InChIInChI=1S/C10H13ClN2OS/c11-3-1-2-9-8-15-10(12-9)13-4-6-14-7-5-13/h1-2,8H,3-7H2
InChIKeyCPKKZNHDFOMCIN-UHFFFAOYSA-N
MW244.75 g/mol
LogP2.23
Rot. Bonds3

About 4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine

4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine (PubChem CID 169478013) has the molecular formula C10H13ClN2OS and a molecular weight of 244.75 g/mol. Its IUPAC name is 4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine
PubChem CID169478013
Molecular FormulaC10H13ClN2OS
Molecular Weight244.75 g/mol
Exact Mass244.04
IUPAC Name4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine
SMILESClCC=Cc1csc(N2CCOCC2)n1
InChIInChI=1S/C10H13ClN2OS/c11-3-1-2-9-8-15-10(12-9)13-4-6-14-7-5-13/h1-2,8H,3-7H2
InChIKeyCPKKZNHDFOMCIN-UHFFFAOYSA-N
XLogP2.23
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.75
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-chlorobut-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 170499858
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-en-1-ol
CID 170477281
4-[4-(4-bromobut-1-enyl)-1,3-thiazol-2-yl]morpholine
CID 170498163
4-chloro-1-(2-morpholin-4-yl-1,3-thiazol-4-yl)butane-1,2-diol
CID 171894560
(2-morpholin-4-yl-1,3-thiazol-4-yl)boronic acid
CID 66632378
1,3-bis[(2-morpholin-4-yl-1,3-thiazole-4-carbonyl)amino]urea
CID 24574552
(Z)-1-cyclopropyl-4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-2-en-1-one
CID 143695893
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)oxan-4-amine
CID 114275536
4-(2-morpholin-4-yl-1,3-thiazol-4-yl)but-3-ynenitrile
CID 170475542
4-[4-(5-methylthiophen-2-yl)-1,3-thiazol-2-yl]morpholine;hydrochloride
CID 72720133
4-[4-[(3-chloro-2,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]morpholine
CID 91322921
4-(1,3,4-thiadiazol-2-yl)morpholine;hydrochloride
CID 3047399

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine (CID 169478013) is 4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine is ClCC=Cc1csc(N2CCOCC2)n1.
What is the InChIKey of 4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is CPKKZNHDFOMCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2OS/c11-3-1-2-9-8-15-10(12-9)13-4-6-14-7-5-13/h1-2,8H,3-7H2.
What are the key properties of 4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine?
4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 244.75 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-chloroprop-1-enyl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 169478013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).