4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine

C13H17N5OS — CID 127418050

IUPAC4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine
SMILESc1cnn(CC2CN(c3nc(C4CC4)ns3)CCO2)c1
InChIInChI=1S/C13H17N5OS/c1-4-14-18(5-1)9-11-8-17(6-7-19-11)13-15-12(16-20-13)10-2-3-10/h1,4-5,10-11H,2-3,6-9H2
InChIKeyZYZONFIIUCOPJU-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.52
Rot. Bonds4

About 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine

4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine (PubChem CID 127418050) has the molecular formula C13H17N5OS and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine
PubChem CID127418050
Molecular FormulaC13H17N5OS
Molecular Weight291.38 g/mol
Exact Mass291.12
IUPAC Name4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine
SMILESc1cnn(CC2CN(c3nc(C4CC4)ns3)CCO2)c1
InChIInChI=1S/C13H17N5OS/c1-4-14-18(5-1)9-11-8-17(6-7-19-11)13-15-12(16-20-13)10-2-3-10/h1,4-5,10-11H,2-3,6-9H2
InChIKeyZYZONFIIUCOPJU-UHFFFAOYSA-N
XLogP1.52
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 95283780
(2R)-4-[(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)methyl]-2-(pyrazol-1-ylmethyl)morpholine
CID 164636876
methyl 4-chloro-2-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-thiazole-5-carboxylate
CID 133281943
2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]-1,3-benzoxazole
CID 95277594
N,N-dimethyl-4-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-2-amine
CID 164639660
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholine
CID 127728912
N,N,6-trimethyl-2-[(2R)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]pyrimidin-4-amine
CID 95286452
(2S)-4-(3-ethyl-1,2,4-thiadiazol-5-yl)-2-(morpholin-4-ylmethyl)morpholine
CID 164640503
4-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-2-(pyrazol-1-ylmethyl)morpholine
CID 127298016
2-fluoro-6-[(2S)-2-(pyrazol-1-ylmethyl)morpholin-4-yl]benzonitrile
CID 95278458
4-(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133281937
4-(6-benzylsulfanylpyrazin-2-yl)-2-(pyrazol-1-ylmethyl)morpholine
CID 133389617

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The IUPAC name of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine (CID 127418050) is 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The canonical SMILES for 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine is c1cnn(CC2CN(c3nc(C4CC4)ns3)CCO2)c1.
What is the InChIKey of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine?
The InChIKey is ZYZONFIIUCOPJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5OS/c1-4-14-18(5-1)9-11-8-17(6-7-19-11)13-15-12(16-20-13)10-2-3-10/h1,4-5,10-11H,2-3,6-9H2.
What are the key properties of 4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine?
4-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)-2-(pyrazol-1-ylmethyl)morpholine has a molecular weight of 291.38 g/mol, XLogP of 1.52, 4 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-(pyrazol-1-ylmethyl)morpholine is sourced from PubChem (CID 127418050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).