4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine

C14H19ClN4OS — CID 71928045

IUPAC4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCCc1nc(C2CN(Cc3ccc(Cl)s3)CCO2)n[nH]1
InChIInChI=1S/C14H19ClN4OS/c1-2-3-13-16-14(18-17-13)11-9-19(6-7-20-11)8-10-4-5-12(15)21-10/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18)
InChIKeyMPSYASFRQPYAMO-UHFFFAOYSA-N
MW326.85 g/mol
LogP3.05
Rot. Bonds5

About 4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine

4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine (PubChem CID 71928045) has the molecular formula C14H19ClN4OS and a molecular weight of 326.85 g/mol. Its IUPAC name is 4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine.

Molecular Properties

Compound Name4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
PubChem CID71928045
Molecular FormulaC14H19ClN4OS
Molecular Weight326.85 g/mol
Exact Mass326.10
IUPAC Name4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine
SMILESCCCc1nc(C2CN(Cc3ccc(Cl)s3)CCO2)n[nH]1
InChIInChI=1S/C14H19ClN4OS/c1-2-3-13-16-14(18-17-13)11-9-19(6-7-20-11)8-10-4-5-12(15)21-10/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18)
InChIKeyMPSYASFRQPYAMO-UHFFFAOYSA-N
XLogP3.05
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.85
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine?
The IUPAC name of 4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine (CID 71928045) is 4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine.
What is the SMILES notation for 4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine?
The canonical SMILES for 4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine is CCCc1nc(C2CN(Cc3ccc(Cl)s3)CCO2)n[nH]1.
What is the InChIKey of 4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine?
The InChIKey is MPSYASFRQPYAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4OS/c1-2-3-13-16-14(18-17-13)11-9-19(6-7-20-11)8-10-4-5-12(15)21-10/h4-5,11H,2-3,6-9H2,1H3,(H,16,17,18).
What are the key properties of 4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine?
4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine has a molecular weight of 326.85 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chlorothiophen-2-yl)methyl]-2-(5-propyl-1H-1,2,4-triazol-3-yl)morpholine is sourced from PubChem (CID 71928045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).