2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine

C16H17N5OS — CID 136545716

IUPAC2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine
SMILESCn1cc(C2CN(c3nc(-c4cccnc4)cs3)CCO2)cn1
InChIInChI=1S/C16H17N5OS/c1-20-9-13(8-18-20)15-10-21(5-6-22-15)16-19-14(11-23-16)12-3-2-4-17-7-12/h2-4,7-9,11,15H,5-6,10H2,1H3
InChIKeyZUGFJJHPXUQSOC-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.52
Rot. Bonds3

About 2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine

2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine (PubChem CID 136545716) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine
PubChem CID136545716
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine
SMILESCn1cc(C2CN(c3nc(-c4cccnc4)cs3)CCO2)cn1
InChIInChI=1S/C16H17N5OS/c1-20-9-13(8-18-20)15-10-21(5-6-22-15)16-19-14(11-23-16)12-3-2-4-17-7-12/h2-4,7-9,11,15H,5-6,10H2,1H3
InChIKeyZUGFJJHPXUQSOC-UHFFFAOYSA-N
XLogP2.52
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine (CID 136545716) is 2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine is Cn1cc(C2CN(c3nc(-c4cccnc4)cs3)CCO2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine?
The InChIKey is ZUGFJJHPXUQSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-20-9-13(8-18-20)15-10-21(5-6-22-15)16-19-14(11-23-16)12-3-2-4-17-7-12/h2-4,7-9,11,15H,5-6,10H2,1H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine?
2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine has a molecular weight of 327.41 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-4-(4-pyridin-3-yl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 136545716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).