4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine

C9H14N2OS — CID 23076518

IUPAC4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine
SMILESCc1nc(N2CCOCC2)sc1C
InChIInChI=1S/C9H14N2OS/c1-7-8(2)13-9(10-7)11-3-5-12-6-4-11/h3-6H2,1-2H3
InChIKeyQWHWJRGEQCBGPC-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.60
Rot. Bonds1

About 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine

4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine (PubChem CID 23076518) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine
PubChem CID23076518
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine
SMILESCc1nc(N2CCOCC2)sc1C
InChIInChI=1S/C9H14N2OS/c1-7-8(2)13-9(10-7)11-3-5-12-6-4-11/h3-6H2,1-2H3
InChIKeyQWHWJRGEQCBGPC-UHFFFAOYSA-N
XLogP1.60
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine (CID 23076518) is 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine is Cc1nc(N2CCOCC2)sc1C.
What is the InChIKey of 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine?
The InChIKey is QWHWJRGEQCBGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-8(2)13-9(10-7)11-3-5-12-6-4-11/h3-6H2,1-2H3.
What are the key properties of 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine?
4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine has a molecular weight of 198.29 g/mol, XLogP of 1.60, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 23076518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).