4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

C14H19N5OS — CID 127470255

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3nc(C4CC4)ns3)CCO2)cn1
InChIInChI=1S/C14H19N5OS/c1-14(11-7-15-18(2)8-11)9-19(5-6-20-14)13-16-12(17-21-13)10-3-4-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyLMKCPBSVEYCKIS-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.90
Rot. Bonds3

About 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 127470255) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID127470255
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2(C)CN(c3nc(C4CC4)ns3)CCO2)cn1
InChIInChI=1S/C14H19N5OS/c1-14(11-7-15-18(2)8-11)9-19(5-6-20-14)13-16-12(17-21-13)10-3-4-10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyLMKCPBSVEYCKIS-UHFFFAOYSA-N
XLogP1.90
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine (CID 127470255) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc(C2(C)CN(c3nc(C4CC4)ns3)CCO2)cn1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is LMKCPBSVEYCKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-14(11-7-15-18(2)8-11)9-19(5-6-20-14)13-16-12(17-21-13)10-3-4-10/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 305.41 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-methyl-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 127470255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).