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

C16H22N4OS — CID 75470424

IUPAC4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine
SMILESCc1n[nH]c(C)c1C1COCCN1Cc1csc(C2CC2)n1
InChIInChI=1S/C16H22N4OS/c1-10-15(11(2)19-18-10)14-8-21-6-5-20(14)7-13-9-22-16(17-13)12-3-4-12/h9,12,14H,3-8H2,1-2H3,(H,18,19)
InChIKeyHFSQJKUXOUOWML-UHFFFAOYSA-N
MW318.45 g/mol
LogP2.93
Rot. Bonds4

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

4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine (PubChem CID 75470424) has the molecular formula C16H22N4OS and a molecular weight of 318.45 g/mol. Its IUPAC name is 4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine
PubChem CID75470424
Molecular FormulaC16H22N4OS
Molecular Weight318.45 g/mol
Exact Mass318.15
IUPAC Name4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine
SMILESCc1n[nH]c(C)c1C1COCCN1Cc1csc(C2CC2)n1
InChIInChI=1S/C16H22N4OS/c1-10-15(11(2)19-18-10)14-8-21-6-5-20(14)7-13-9-22-16(17-13)12-3-4-12/h9,12,14H,3-8H2,1-2H3,(H,18,19)
InChIKeyHFSQJKUXOUOWML-UHFFFAOYSA-N
XLogP2.93
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.45
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine?
The IUPAC name of 4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine (CID 75470424) is 4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine.
What is the SMILES notation for 4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine?
The canonical SMILES for 4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine is Cc1n[nH]c(C)c1C1COCCN1Cc1csc(C2CC2)n1.
What is the InChIKey of 4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine?
The InChIKey is HFSQJKUXOUOWML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4OS/c1-10-15(11(2)19-18-10)14-8-21-6-5-20(14)7-13-9-22-16(17-13)12-3-4-12/h9,12,14H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine?
4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine has a molecular weight of 318.45 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-3-(3,5-dimethyl-1H-pyrazol-4-yl)morpholine is sourced from PubChem (CID 75470424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).