4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine

C12H16N4OS — CID 86775020

IUPAC4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
SMILESCn1ccnc1CN1CCOC(c2nccs2)C1
InChIInChI=1S/C12H16N4OS/c1-15-4-2-13-11(15)9-16-5-6-17-10(8-16)12-14-3-7-18-12/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyDWTSYZCCPJXGPN-UHFFFAOYSA-N
MW264.35 g/mol
LogP1.45
Rot. Bonds3

About 4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine

4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine (PubChem CID 86775020) has the molecular formula C12H16N4OS and a molecular weight of 264.35 g/mol. Its IUPAC name is 4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
PubChem CID86775020
Molecular FormulaC12H16N4OS
Molecular Weight264.35 g/mol
Exact Mass264.10
IUPAC Name4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine
SMILESCn1ccnc1CN1CCOC(c2nccs2)C1
InChIInChI=1S/C12H16N4OS/c1-15-4-2-13-11(15)9-16-5-6-17-10(8-16)12-14-3-7-18-12/h2-4,7,10H,5-6,8-9H2,1H3
InChIKeyDWTSYZCCPJXGPN-UHFFFAOYSA-N
XLogP1.45
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
The IUPAC name of 4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine (CID 86775020) is 4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine.
What is the SMILES notation for 4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
The canonical SMILES for 4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine is Cn1ccnc1CN1CCOC(c2nccs2)C1.
What is the InChIKey of 4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
The InChIKey is DWTSYZCCPJXGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS/c1-15-4-2-13-11(15)9-16-5-6-17-10(8-16)12-14-3-7-18-12/h2-4,7,10H,5-6,8-9H2,1H3.
What are the key properties of 4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine?
4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine has a molecular weight of 264.35 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylimidazol-2-yl)methyl]-2-(1,3-thiazol-2-yl)morpholine is sourced from PubChem (CID 86775020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).