5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide

C14H16BrN3O2S — CID 54787300

IUPAC5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
SMILESCCc1nnc(NC(=O)c2cc(Br)ccc2OC(C)C)s1
InChIInChI=1S/C14H16BrN3O2S/c1-4-12-17-18-14(21-12)16-13(19)10-7-9(15)5-6-11(10)20-8(2)3/h5-8H,4H2,1-3H3,(H,16,18,19)
InChIKeyDDWOEBRYEOAZIL-UHFFFAOYSA-N
MW370.27 g/mol
LogP3.90
Rot. Bonds5

About 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide

5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide (PubChem CID 54787300) has the molecular formula C14H16BrN3O2S and a molecular weight of 370.27 g/mol. Its IUPAC name is 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide.

Molecular Properties

Compound Name5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
PubChem CID54787300
Molecular FormulaC14H16BrN3O2S
Molecular Weight370.27 g/mol
Exact Mass369.01
IUPAC Name5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide
SMILESCCc1nnc(NC(=O)c2cc(Br)ccc2OC(C)C)s1
InChIInChI=1S/C14H16BrN3O2S/c1-4-12-17-18-14(21-12)16-13(19)10-7-9(15)5-6-11(10)20-8(2)3/h5-8H,4H2,1-3H3,(H,16,18,19)
InChIKeyDDWOEBRYEOAZIL-UHFFFAOYSA-N
XLogP3.90
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.27
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-2-butoxy-N-[(5-ethyl-1,3,4-thiadiazol-2-yl)carbamothioyl]benzamide
CID 54787240
7-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-oxochromene-2-carboxamide
CID 4871288
4-[(5-bromo-2-propan-2-yloxybenzoyl)amino]benzoic acid
CID 54856038
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4-di(propan-2-yl)benzamide
CID 9344816
5-bromo-N-[3-(butanoylamino)phenyl]-2-propan-2-yloxybenzamide
CID 17187649
5-bromo-2-propan-2-yloxybenzamide
CID 17052192
5-bromo-N-[4-(2-methylpropoxy)phenyl]-2-propan-2-yloxybenzamide
CID 17051555
1-(5-bromo-2-propan-2-yloxyphenyl)ethanone
CID 60643994
(E)-3-(5-bromo-2-ethoxyphenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide
CID 19185287
5-bromo-N-(2-bromo-4-methylphenyl)-2-propan-2-yloxybenzamide
CID 54784461
5-bromo-N'-(2-ethoxyacetyl)-2-propan-2-yloxybenzohydrazide
CID 17140952
2-amino-3-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
CID 110451183

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide?
The IUPAC name of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide (CID 54787300) is 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide.
What is the SMILES notation for 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide?
The canonical SMILES for 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide is CCc1nnc(NC(=O)c2cc(Br)ccc2OC(C)C)s1.
What is the InChIKey of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide?
The InChIKey is DDWOEBRYEOAZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2S/c1-4-12-17-18-14(21-12)16-13(19)10-7-9(15)5-6-11(10)20-8(2)3/h5-8H,4H2,1-3H3,(H,16,18,19).
What are the key properties of 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide?
5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide has a molecular weight of 370.27 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-propan-2-yloxybenzamide is sourced from PubChem (CID 54787300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).