4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine

C9H16ClNS — CID 175452692

IUPAC4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine
SMILESC=CCN1C(C)SCC1C(C)Cl
InChIInChI=1S/C9H16ClNS/c1-4-5-11-8(3)12-6-9(11)7(2)10/h4,7-9H,1,5-6H2,2-3H3
InChIKeyDKDMDVODJKWFEH-UHFFFAOYSA-N
MW205.75 g/mol
LogP2.56
Rot. Bonds3

About 4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine

4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine (PubChem CID 175452692) has the molecular formula C9H16ClNS and a molecular weight of 205.75 g/mol. Its IUPAC name is 4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine.

Molecular Properties

Compound Name4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine
PubChem CID175452692
Molecular FormulaC9H16ClNS
Molecular Weight205.75 g/mol
Exact Mass205.07
IUPAC Name4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine
SMILESC=CCN1C(C)SCC1C(C)Cl
InChIInChI=1S/C9H16ClNS/c1-4-5-11-8(3)12-6-9(11)7(2)10/h4,7-9H,1,5-6H2,2-3H3
InChIKeyDKDMDVODJKWFEH-UHFFFAOYSA-N
XLogP2.56
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.75
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine?
The IUPAC name of 4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine (CID 175452692) is 4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine.
What is the SMILES notation for 4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine?
The canonical SMILES for 4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine is C=CCN1C(C)SCC1C(C)Cl.
What is the InChIKey of 4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine?
The InChIKey is DKDMDVODJKWFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNS/c1-4-5-11-8(3)12-6-9(11)7(2)10/h4,7-9H,1,5-6H2,2-3H3.
What are the key properties of 4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine?
4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine has a molecular weight of 205.75 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-chloroethyl)-2-methyl-3-prop-2-enyl-1,3-thiazolidine is sourced from PubChem (CID 175452692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).