4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine

C15H20N4OS — CID 155946754

IUPAC4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2CN(Cc3nc4c(s3)CCC4)CCO2)cn1
InChIInChI=1S/C15H20N4OS/c1-18-8-11(7-16-18)13-9-19(5-6-20-13)10-15-17-12-3-2-4-14(12)21-15/h7-8,13H,2-6,9-10H2,1H3
InChIKeyXOCXPNOZHPESTH-UHFFFAOYSA-N
MW304.42 g/mol
LogP1.94
Rot. Bonds3

About 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine

4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine (PubChem CID 155946754) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine.

Molecular Properties

Compound Name4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine
PubChem CID155946754
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC Name4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine
SMILESCn1cc(C2CN(Cc3nc4c(s3)CCC4)CCO2)cn1
InChIInChI=1S/C15H20N4OS/c1-18-8-11(7-16-18)13-9-19(5-6-20-13)10-15-17-12-3-2-4-14(12)21-15/h7-8,13H,2-6,9-10H2,1H3
InChIKeyXOCXPNOZHPESTH-UHFFFAOYSA-N
XLogP1.94
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine?
The IUPAC name of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine (CID 155946754) is 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine.
What is the SMILES notation for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine?
The canonical SMILES for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine is Cn1cc(C2CN(Cc3nc4c(s3)CCC4)CCO2)cn1.
What is the InChIKey of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine?
The InChIKey is XOCXPNOZHPESTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-18-8-11(7-16-18)13-9-19(5-6-20-13)10-15-17-12-3-2-4-14(12)21-15/h7-8,13H,2-6,9-10H2,1H3.
What are the key properties of 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine?
4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine has a molecular weight of 304.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-methylpyrazol-4-yl)morpholine is sourced from PubChem (CID 155946754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).