4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine

C13H13ClN2S2 — CID 626588

IUPAC4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine
SMILESClc1ccc(-c2csc(N3CCSCC3)n2)cc1
InChIInChI=1S/C13H13ClN2S2/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2
InChIKeyWVFRUSQKVPHKBD-UHFFFAOYSA-N
MW296.85 g/mol
LogP4.02
Rot. Bonds2

About 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine

4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine (PubChem CID 626588) has the molecular formula C13H13ClN2S2 and a molecular weight of 296.85 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine
PubChem CID626588
Molecular FormulaC13H13ClN2S2
Molecular Weight296.85 g/mol
Exact Mass296.02
IUPAC Name4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine
SMILESClc1ccc(-c2csc(N3CCSCC3)n2)cc1
InChIInChI=1S/C13H13ClN2S2/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2
InChIKeyWVFRUSQKVPHKBD-UHFFFAOYSA-N
XLogP4.02
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.85
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine?
The IUPAC name of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine (CID 626588) is 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine.
What is the SMILES notation for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine?
The canonical SMILES for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine is Clc1ccc(-c2csc(N3CCSCC3)n2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine?
The InChIKey is WVFRUSQKVPHKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S2/c14-11-3-1-10(2-4-11)12-9-18-13(15-12)16-5-7-17-8-6-16/h1-4,9H,5-8H2.
What are the key properties of 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine?
4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine has a molecular weight of 296.85 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]thiomorpholine is sourced from PubChem (CID 626588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).