2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide

C14H13BrN2O2S — CID 166393856

IUPAC2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide
SMILESO=C(CC1(Oc2ccc(Br)cc2)CC1)Nc1cncs1
InChIInChI=1S/C14H13BrN2O2S/c15-10-1-3-11(4-2-10)19-14(5-6-14)7-12(18)17-13-8-16-9-20-13/h1-4,8-9H,5-7H2,(H,17,18)
InChIKeyFVMUPYIAWURZKK-UHFFFAOYSA-N
MW353.24 g/mol
LogP3.85
Rot. Bonds5

About 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide

2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide (PubChem CID 166393856) has the molecular formula C14H13BrN2O2S and a molecular weight of 353.24 g/mol. Its IUPAC name is 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide
PubChem CID166393856
Molecular FormulaC14H13BrN2O2S
Molecular Weight353.24 g/mol
Exact Mass351.99
IUPAC Name2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide
SMILESO=C(CC1(Oc2ccc(Br)cc2)CC1)Nc1cncs1
InChIInChI=1S/C14H13BrN2O2S/c15-10-1-3-11(4-2-10)19-14(5-6-14)7-12(18)17-13-8-16-9-20-13/h1-4,8-9H,5-7H2,(H,17,18)
InChIKeyFVMUPYIAWURZKK-UHFFFAOYSA-N
XLogP3.85
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.24
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4-bromophenoxy)cyclobutyl]acetic acid
CID 103272356
1,3-thiazol-5-ylcarbamic acid
CID 69255829
5-(4-methylphenyl)-N-(1,3-thiazol-5-yl)pentanamide
CID 166195588
N-(5-bromo-1,3-thiazol-2-yl)-2-(1-methoxycyclobutyl)acetamide
CID 103556726
5-[(4-bromophenoxy)methyl]-1,3-thiazole-4-carboxylic acid
CID 117214584
N-(4-bromophenyl)-2-(4-iodophenoxy)acetamide
CID 55027089
N-(4-bromophenyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107021050
2-(1-aminocyclopentyl)-N-(5-bromo-2-pyridinyl)acetamide
CID 64684559
2-(4-bromophenoxy)-N-(5-bromo-1,3-thiazol-2-yl)acetamide
CID 35524705
4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
CID 27700039
2-(4-bromophenoxy)-N-(6-chloro-3-pyridinyl)acetamide
CID 54787948
N-(4-chloro-3-pyridinyl)-2-(1-methoxycyclobutyl)acetamide
CID 103522047

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide?
The IUPAC name of 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide (CID 166393856) is 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide?
The canonical SMILES for 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide is O=C(CC1(Oc2ccc(Br)cc2)CC1)Nc1cncs1.
What is the InChIKey of 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide?
The InChIKey is FVMUPYIAWURZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN2O2S/c15-10-1-3-11(4-2-10)19-14(5-6-14)7-12(18)17-13-8-16-9-20-13/h1-4,8-9H,5-7H2,(H,17,18).
What are the key properties of 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide?
2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide has a molecular weight of 353.24 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromophenoxy)cyclopropyl]-N-(1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 166393856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).