[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone

C11H16BrN3O2S — CID 81209564

IUPAC[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)N1CCOC(CBr)C1
InChIInChI=1S/C11H16BrN3O2S/c1-7(2)9-10(18-14-13-9)11(16)15-3-4-17-8(5-12)6-15/h7-8H,3-6H2,1-2H3
InChIKeyFAQTZBVVHCSFFT-UHFFFAOYSA-N
MW334.24 g/mol
LogP1.90
Rot. Bonds3

About [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone

[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone (PubChem CID 81209564) has the molecular formula C11H16BrN3O2S and a molecular weight of 334.24 g/mol. Its IUPAC name is [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
PubChem CID81209564
Molecular FormulaC11H16BrN3O2S
Molecular Weight334.24 g/mol
Exact Mass333.01
IUPAC Name[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
SMILESCC(C)c1nnsc1C(=O)N1CCOC(CBr)C1
InChIInChI=1S/C11H16BrN3O2S/c1-7(2)9-10(18-14-13-9)11(16)15-3-4-17-8(5-12)6-15/h7-8H,3-6H2,1-2H3
InChIKeyFAQTZBVVHCSFFT-UHFFFAOYSA-N
XLogP1.90
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-(4-propan-2-ylthiadiazole-5-carbonyl)morpholine-2-carboxylic acid
CID 65204851
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylphenyl)methanone
CID 81212043
2-[4-(4-methylthiadiazole-5-carbonyl)morpholin-2-yl]acetic acid
CID 66420176
[4-(2-bromoethoxy)piperidin-1-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 82701844
1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidin-4-one
CID 65204766
(3-amino-4-methylpyrrolidin-1-yl)-(4-propan-2-ylthiadiazol-5-yl)methanone
CID 103575855
[2-(bromomethyl)morpholin-4-yl]-(3,5-dimethylphenyl)methanone
CID 81210603
[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 102922742
N'-hydroxy-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-4-carboximidamide
CID 77059620
ethyl (3S)-1-(4-propan-2-ylthiadiazole-5-carbonyl)piperidine-3-carboxylate
CID 115535606
[2-(aminomethyl)morpholin-4-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone;hydrochloride
CID 154891717
[2-(bromomethyl)morpholin-4-yl]-(5-bromothiophen-2-yl)methanone
CID 81211705

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
The IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone (CID 81209564) is [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone.
What is the SMILES notation for [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
The canonical SMILES for [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone is CC(C)c1nnsc1C(=O)N1CCOC(CBr)C1.
What is the InChIKey of [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
The InChIKey is FAQTZBVVHCSFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2S/c1-7(2)9-10(18-14-13-9)11(16)15-3-4-17-8(5-12)6-15/h7-8H,3-6H2,1-2H3.
What are the key properties of [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone?
[2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone has a molecular weight of 334.24 g/mol, XLogP of 1.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)morpholin-4-yl]-(4-propan-2-ylthiadiazol-5-yl)methanone is sourced from PubChem (CID 81209564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).