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

C10H13N5OS — CID 167843609

IUPAC4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine
SMILESCc1nc(-c2csc(N3CCOCC3)n2)n[nH]1
InChIInChI=1S/C10H13N5OS/c1-7-11-9(14-13-7)8-6-17-10(12-8)15-2-4-16-5-3-15/h6H,2-5H2,1H3,(H,11,13,14)
InChIKeyCJBIZVCERWOTFE-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.07
Rot. Bonds2

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

4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine (PubChem CID 167843609) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine
PubChem CID167843609
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine
SMILESCc1nc(-c2csc(N3CCOCC3)n2)n[nH]1
InChIInChI=1S/C10H13N5OS/c1-7-11-9(14-13-7)8-6-17-10(12-8)15-2-4-16-5-3-15/h6H,2-5H2,1H3,(H,11,13,14)
InChIKeyCJBIZVCERWOTFE-UHFFFAOYSA-N
XLogP1.07
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine?
The IUPAC name of 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine (CID 167843609) is 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine.
What is the SMILES notation for 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine?
The canonical SMILES for 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine is Cc1nc(-c2csc(N3CCOCC3)n2)n[nH]1.
What is the InChIKey of 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine?
The InChIKey is CJBIZVCERWOTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-7-11-9(14-13-7)8-6-17-10(12-8)15-2-4-16-5-3-15/h6H,2-5H2,1H3,(H,11,13,14).
What are the key properties of 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine?
4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine has a molecular weight of 251.31 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methyl-1H-1,2,4-triazol-3-yl)-1,3-thiazol-2-yl]morpholine is sourced from PubChem (CID 167843609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).