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

C8H11BrN2OS — CID 117191298

IUPAC4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine
SMILESBrc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C8H11BrN2OS/c9-8-10-7(6-13-8)5-11-1-3-12-4-2-11/h6H,1-5H2
InChIKeyOFNYBEGUGXNOJQ-UHFFFAOYSA-N
MW263.16 g/mol
LogP1.74
Rot. Bonds2

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

4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine (PubChem CID 117191298) has the molecular formula C8H11BrN2OS and a molecular weight of 263.16 g/mol. Its IUPAC name is 4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine
PubChem CID117191298
Molecular FormulaC8H11BrN2OS
Molecular Weight263.16 g/mol
Exact Mass261.98
IUPAC Name4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine
SMILESBrc1nc(CN2CCOCC2)cs1
InChIInChI=1S/C8H11BrN2OS/c9-8-10-7(6-13-8)5-11-1-3-12-4-2-11/h6H,1-5H2
InChIKeyOFNYBEGUGXNOJQ-UHFFFAOYSA-N
XLogP1.74
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.16
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[2-(2-chlorophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 6465501
1-methyl-3-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]urea
CID 47173590
N-[[4-(1,4-oxazepan-4-ylmethyl)-1,3-thiazol-2-yl]methyl]ethanamine
CID 62974846
4-[[2-(4-nitrophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 17139383
4-[[2-(4-isocyanatophenyl)-1,3-thiazol-4-yl]methyl]morpholine
CID 169354473
2-amino-2-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide
CID 119830508
methyl N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]carbamate
CID 110359921
(2S)-2-amino-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119830551
4-methyl-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]pentanamide
CID 47106209
2-(4-hydroxyphenyl)-N-[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]acetamide
CID 78837285
N-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]methyl]cyclopentanesulfonamide
CID 110357349
4-bromo-N-[3-[[4-(morpholin-4-ylmethyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 31005479

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine?
The IUPAC name of 4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine (CID 117191298) is 4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine.
What is the SMILES notation for 4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine?
The canonical SMILES for 4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine is Brc1nc(CN2CCOCC2)cs1.
What is the InChIKey of 4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine?
The InChIKey is OFNYBEGUGXNOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11BrN2OS/c9-8-10-7(6-13-8)5-11-1-3-12-4-2-11/h6H,1-5H2.
What are the key properties of 4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine?
4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine has a molecular weight of 263.16 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine is sourced from PubChem (CID 117191298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).