4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine

C10H11ClN4OS2 — CID 86775004

IUPAC4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
SMILESClc1snnc1CN1CCOC(c2nccs2)C1
InChIInChI=1S/C10H11ClN4OS2/c11-9-7(13-14-18-9)5-15-2-3-16-8(6-15)10-12-1-4-17-10/h1,4,8H,2-3,5-6H2
InChIKeyKZSCJSHTSWETND-UHFFFAOYSA-N
MW302.81 g/mol
LogP2.22
Rot. Bonds3

About 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine

4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine (PubChem CID 86775004) has the molecular formula C10H11ClN4OS2 and a molecular weight of 302.81 g/mol. Its IUPAC name is 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
PubChem CID86775004
Molecular FormulaC10H11ClN4OS2
Molecular Weight302.81 g/mol
Exact Mass302.01
IUPAC Name4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
SMILESClc1snnc1CN1CCOC(c2nccs2)C1
InChIInChI=1S/C10H11ClN4OS2/c11-9-7(13-14-18-9)5-15-2-3-16-8(6-15)10-12-1-4-17-10/h1,4,8H,2-3,5-6H2
InChIKeyKZSCJSHTSWETND-UHFFFAOYSA-N
XLogP2.22
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

CID 86772830
CID 86772830
CID 97847074
CID 97847074
CID 97847075
CID 97847075
CID 97847168
CID 97847168
CID 97847169
CID 97847169

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine (CID 86775004) is 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine is Clc1snnc1CN1CCOC(c2nccs2)C1.
What is the InChIKey of 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
The InChIKey is KZSCJSHTSWETND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4OS2/c11-9-7(13-14-18-9)5-15-2-3-16-8(6-15)10-12-1-4-17-10/h1,4,8H,2-3,5-6H2.
What are the key properties of 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine has a molecular weight of 302.81 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 86775004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).