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

C11H13ClN4OS2 — CID 86772830

IUPAC4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc(C2CN(Cc3nnsc3Cl)CCO2)n1
InChIInChI=1S/C11H13ClN4OS2/c1-7-6-18-11(13-7)9-5-16(2-3-17-9)4-8-10(12)19-15-14-8/h6,9H,2-5H2,1H3
InChIKeyZYAYSKHABYWYLF-UHFFFAOYSA-N
MW316.84 g/mol
LogP2.53
Rot. Bonds3

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

4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (PubChem CID 86772830) has the molecular formula C11H13ClN4OS2 and a molecular weight of 316.84 g/mol. Its IUPAC name is 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
PubChem CID86772830
Molecular FormulaC11H13ClN4OS2
Molecular Weight316.84 g/mol
Exact Mass316.02
IUPAC Name4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
SMILESCc1csc(C2CN(Cc3nnsc3Cl)CCO2)n1
InChIInChI=1S/C11H13ClN4OS2/c1-7-6-18-11(13-7)9-5-16(2-3-17-9)4-8-10(12)19-15-14-8/h6,9H,2-5H2,1H3
InChIKeyZYAYSKHABYWYLF-UHFFFAOYSA-N
XLogP2.53
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.84
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-Methyl-1,3-thiazol-2-yl)-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
CID 53538498
4-[(2-Tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 53538571
2-(4-Methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 53539030
N-[(5-chlorothiadiazol-4-yl)methyl]-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 75374987
4-[(5-Ethoxy-1,3,4-thiadiazol-2-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 86772839
4-[(5-Chlorothiadiazol-4-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
CID 86775004
3-(4-Methyl-1,3-thiazol-2-yl)-4-(thiadiazol-4-ylmethyl)morpholine
CID 86802458
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
CID 95135901
(2R)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propyl-1,3-thiazol-4-yl)methyl]morpholine
CID 95135902
(2S)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95136752
(2R)-4-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95136753
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]morpholine
CID 95138502

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine (CID 86772830) is 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine is Cc1csc(C2CN(Cc3nnsc3Cl)CCO2)n1.
What is the InChIKey of 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is ZYAYSKHABYWYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4OS2/c1-7-6-18-11(13-7)9-5-16(2-3-17-9)4-8-10(12)19-15-14-8/h6,9H,2-5H2,1H3.
What are the key properties of 4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine?
4-[(5-chlorothiadiazol-4-yl)methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 316.84 g/mol, XLogP of 2.53, 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-(4-methyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 86772830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).